N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine

C46H30N2O — CID 134252614

IUPACN,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine
SMILESc1ccc(-c2ccc(-n3c4c(N(c5ccccc5)c5ccccc5)cc5c6ccccc6oc5c4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-4-14-31(15-5-1)32-24-27-36(28-25-32)48-44-37-21-11-10-16-33(37)26-29-39(44)43-45(48)41(30-40-38-22-12-13-23-42(38)49-46(40)43)47(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-30H
InChIKeyPNZBSNDOQNEPNF-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine

N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine (PubChem CID 134252614) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine.

Molecular Properties

Compound NameN,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine
PubChem CID134252614
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine
SMILESc1ccc(-c2ccc(-n3c4c(N(c5ccccc5)c5ccccc5)cc5c6ccccc6oc5c4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-4-14-31(15-5-1)32-24-27-36(28-25-32)48-44-37-21-11-10-16-33(37)26-29-39(44)43-45(48)41(30-40-38-22-12-13-23-42(38)49-46(40)43)47(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-30H
InChIKeyPNZBSNDOQNEPNF-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine with MolForge

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Related Compounds

12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
CID 134252619
3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine
CID 135163558
N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
CID 118545715
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167277566

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine?
The IUPAC name of N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine (CID 134252614) is N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine.
What is the SMILES notation for N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine?
The canonical SMILES for N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine is c1ccc(-c2ccc(-n3c4c(N(c5ccccc5)c5ccccc5)cc5c6ccccc6oc5c4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine?
The InChIKey is PNZBSNDOQNEPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-4-14-31(15-5-1)32-24-27-36(28-25-32)48-44-37-21-11-10-16-33(37)26-29-39(44)43-45(48)41(30-40-38-22-12-13-23-42(38)49-46(40)43)47(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-30H.
What are the key properties of N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine?
N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine is sourced from PubChem (CID 134252614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).