N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

C180H108N4OS — CID 159086995

IUPACN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccccc2-c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1
InChIInChI=1S/2C47H29N.C43H25NO.C43H25NS/c1-2-14-33(15-3-1)48(44-23-9-7-16-35(44)32-25-24-30-12-4-5-13-31(30)28-32)34-26-27-37-39-19-11-21-41-40-20-10-18-38-36-17-6-8-22-42(36)47(45(38)40,46(39)41)43(37)29-34;1-2-14-34(15-3-1)48(35-16-8-13-32(28-35)33-24-23-30-11-4-5-12-31(30)27-33)36-25-26-38-40-19-10-21-42-41-20-9-18-39-37-17-6-7-22-43(37)47(45(39)41,46(40)42)44(38)29-36;1-2-10-26(11-3-1)44(28-21-23-32-31-13-5-7-19-39(31)45-40(32)25-28)27-20-22-30-34-15-9-17-36-35-16-8-14-33-29-12-4-6-18-37(29)43(41(33)35,42(34)36)38(30)24-27;1-2-10-26(11-3-1)44(27-21-23-40-36(24-27)31-13-5-7-19-39(31)45-40)28-20-22-30-33-15-9-17-35-34-16-8-14-32-29-12-4-6-18-37(29)43(41(32)34,42(33)35)38(30)25-28/h2*1-29H;2*1-25H
InChIKeyKBOGRUHENAJODI-UHFFFAOYSA-N
MW2374.94 g/mol
LogP47.83
Rot. Bonds14

About N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine

N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (PubChem CID 159086995) has the molecular formula C180H108N4OS and a molecular weight of 2374.94 g/mol. Its IUPAC name is N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.

Molecular Properties

Compound NameN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
PubChem CID159086995
Molecular FormulaC180H108N4OS
Molecular Weight2374.94 g/mol
Exact Mass2372.82
IUPAC NameN-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccccc2-c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1
InChIInChI=1S/2C47H29N.C43H25NO.C43H25NS/c1-2-14-33(15-3-1)48(44-23-9-7-16-35(44)32-25-24-30-12-4-5-13-31(30)28-32)34-26-27-37-39-19-11-21-41-40-20-10-18-38-36-17-6-8-22-42(36)47(45(38)40,46(39)41)43(37)29-34;1-2-14-34(15-3-1)48(35-16-8-13-32(28-35)33-24-23-30-11-4-5-12-31(30)27-33)36-25-26-38-40-19-10-21-42-41-20-9-18-39-37-17-6-7-22-43(37)47(45(39)41,46(40)42)44(38)29-36;1-2-10-26(11-3-1)44(28-21-23-32-31-13-5-7-19-39(31)45-40(32)25-28)27-20-22-30-34-15-9-17-36-35-16-8-14-33-29-12-4-6-18-37(29)43(41(33)35,42(34)36)38(30)24-27;1-2-10-26(11-3-1)44(27-21-23-40-36(24-27)31-13-5-7-19-39(31)45-40)28-20-22-30-33-15-9-17-35-34-16-8-14-32-29-12-4-6-18-37(29)43(41(32)34,42(33)35)38(30)25-28/h2*1-29H;2*1-25H
InChIKeyKBOGRUHENAJODI-UHFFFAOYSA-N
XLogP47.83
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms186
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002374.94
LogP ≤ 547.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The IUPAC name of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine (CID 159086995) is N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine.
What is the SMILES notation for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The canonical SMILES for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccccc2-c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)cc1.
What is the InChIKey of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
The InChIKey is KBOGRUHENAJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29N.C43H25NO.C43H25NS/c1-2-14-33(15-3-1)48(44-23-9-7-16-35(44)32-25-24-30-12-4-5-13-31(30)28-32)34-26-27-37-39-19-11-21-41-40-20-10-18-38-36-17-6-8-22-42(36)47(45(38)40,46(39)41)43(37)29-34;1-2-14-34(15-3-1)48(35-16-8-13-32(28-35)33-24-23-30-11-4-5-12-31(30)27-33)36-25-26-38-40-19-10-21-42-41-20-9-18-39-37-17-6-7-22-43(37)47(45(39)41,46(40)42)44(38)29-36;1-2-10-26(11-3-1)44(28-21-23-32-31-13-5-7-19-39(31)45-40(32)25-28)27-20-22-30-34-15-9-17-36-35-16-8-14-33-29-12-4-6-18-37(29)43(41(33)35,42(34)36)38(30)24-27;1-2-10-26(11-3-1)44(27-21-23-40-36(24-27)31-13-5-7-19-39(31)45-40)28-20-22-30-33-15-9-17-35-34-16-8-14-32-29-12-4-6-18-37(29)43(41(32)34,42(33)35)38(30)25-28/h2*1-29H;2*1-25H.
What are the key properties of N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine?
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine has a molecular weight of 2374.94 g/mol, XLogP of 47.83, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine;N-(3-naphthalen-2-ylphenyl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine is sourced from PubChem (CID 159086995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).