N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine

C48H33NO2 — CID 170406735

IUPACN-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine
SMILESCN(c1ccc2oc3c4c(c5ccccc5c3c2c1)C(C)(C)c1cccc(-c2cccc3ccccc23)c1-4)c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H33NO2/c1-48(2)38-22-11-20-33(31-19-10-14-28-13-4-5-15-30(28)31)43(38)44-45(48)35-18-7-6-17-34(35)42-37-27-29(25-26-41(37)51-47(42)44)49(3)39-23-12-21-36-32-16-8-9-24-40(32)50-46(36)39/h4-27H,1-3H3
InChIKeyBVTLSHWFOCCRQO-UHFFFAOYSA-N
MW655.80 g/mol
LogP13.53
Rot. Bonds3

About N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine

N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine (PubChem CID 170406735) has the molecular formula C48H33NO2 and a molecular weight of 655.80 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine
PubChem CID170406735
Molecular FormulaC48H33NO2
Molecular Weight655.80 g/mol
Exact Mass655.25
IUPAC NameN-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine
SMILESCN(c1ccc2oc3c4c(c5ccccc5c3c2c1)C(C)(C)c1cccc(-c2cccc3ccccc23)c1-4)c1cccc2c1oc1ccccc12
InChIInChI=1S/C48H33NO2/c1-48(2)38-22-11-20-33(31-19-10-14-28-13-4-5-15-30(28)31)43(38)44-45(48)35-18-7-6-17-34(35)42-37-27-29(25-26-41(37)51-47(42)44)49(3)39-23-12-21-36-32-16-8-9-24-40(32)50-46(36)39/h4-27H,1-3H3
InChIKeyBVTLSHWFOCCRQO-UHFFFAOYSA-N
XLogP13.53
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine with MolForge

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
CID 164929416
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
9,9-dimethyl-4-phenyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406461
9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130213201
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N-chrysen-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170140218
N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)dibenzofuran-4-amine
CID 121431509
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
2-[3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-4-yl)amino]phenyl]benzenethiol
CID 170406187
18,18-dimethyl-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 130211729

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine?
The IUPAC name of N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine (CID 170406735) is N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine is CN(c1ccc2oc3c4c(c5ccccc5c3c2c1)C(C)(C)c1cccc(-c2cccc3ccccc23)c1-4)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine?
The InChIKey is BVTLSHWFOCCRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO2/c1-48(2)38-22-11-20-33(31-19-10-14-28-13-4-5-15-30(28)31)43(38)44-45(48)35-18-7-6-17-34(35)42-37-27-29(25-26-41(37)51-47(42)44)49(3)39-23-12-21-36-32-16-8-9-24-40(32)50-46(36)39/h4-27H,1-3H3.
What are the key properties of N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine?
N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine has a molecular weight of 655.80 g/mol, XLogP of 13.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine is sourced from PubChem (CID 170406735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).