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-(2-phenylphenyl)dibenzofuran-2-amine

C49H29NO — CID 156664742

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-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C49H29NO/c1-2-12-30(13-3-1)33-14-5-8-22-44(33)50(31-25-27-46-41(28-31)36-16-6-9-23-45(36)51-46)32-24-26-35-38-18-11-20-40-39-19-10-17-37-34-15-4-7-21-42(34)49(47(37)39,48(38)40)43(35)29-32/h1-29H
InChIKeyBRPPCXJIPWNUBD-UHFFFAOYSA-N
MW647.78 g/mol
LogP13.05
Rot. Bonds4

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-(2-phenylphenyl)dibenzofuran-2-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-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 156664742) has the molecular formula C49H29NO and a molecular weight of 647.78 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-(2-phenylphenyl)dibenzofuran-2-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-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID156664742
Molecular FormulaC49H29NO
Molecular Weight647.78 g/mol
Exact Mass647.22
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-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C49H29NO/c1-2-12-30(13-3-1)33-14-5-8-22-44(33)50(31-25-27-46-41(28-31)36-16-6-9-23-45(36)51-46)32-24-26-35-38-18-11-20-40-39-19-10-17-37-34-15-4-7-21-42(34)49(47(37)39,48(38)40)43(35)29-32/h1-29H
InChIKeyBRPPCXJIPWNUBD-UHFFFAOYSA-N
XLogP13.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.78
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-phenylphenyl)dibenzofuran-2-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
N,N-bis(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463062
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
N-dibenzofuran-2-yl-6-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 171766798
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N,N-bis(2-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298604
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N,N-bis(2-phenylphenyl)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-dodecaen-4-amine
CID 156664728
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463642

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-(2-phenylphenyl)dibenzofuran-2-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-(2-phenylphenyl)dibenzofuran-2-amine (CID 156664742) 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-(2-phenylphenyl)dibenzofuran-2-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-(2-phenylphenyl)dibenzofuran-2-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-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C24c5ccccc5-c5cccc(c52)-c2cccc-3c24)c2ccc3oc4ccccc4c3c2)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-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is BRPPCXJIPWNUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO/c1-2-12-30(13-3-1)33-14-5-8-22-44(33)50(31-25-27-46-41(28-31)36-16-6-9-23-45(36)51-46)32-24-26-35-38-18-11-20-40-39-19-10-17-37-34-15-4-7-21-42(34)49(47(37)39,48(38)40)43(35)29-32/h1-29H.
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-(2-phenylphenyl)dibenzofuran-2-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-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 647.78 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 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-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 156664742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).