N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline

C46H30N2 — CID 146334532

IUPACN,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline
SMILESc1ccc(-c2ccc3c4c2-c2ccccc2-c2cccc5ccc(c4c25)n3-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N2/c1-4-14-31(15-5-1)37-27-29-42-46-44(37)40-24-11-10-23-38(40)39-25-12-16-32-26-28-41(45(46)43(32)39)48(42)36-22-13-21-35(30-36)47(33-17-6-2-7-18-33)34-19-8-3-9-20-34/h1-30H
InChIKeyQQSQKUFWBBUUNZ-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.72
Rot. Bonds5

About N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline

N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline (PubChem CID 146334532) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline
PubChem CID146334532
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC NameN,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline
SMILESc1ccc(-c2ccc3c4c2-c2ccccc2-c2cccc5ccc(c4c25)n3-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N2/c1-4-14-31(15-5-1)37-27-29-42-46-44(37)40-24-11-10-23-38(40)39-25-12-16-32-26-28-41(45(46)43(32)39)48(42)36-22-13-21-35(30-36)47(33-17-6-2-7-18-33)34-19-8-3-9-20-34/h1-30H
InChIKeyQQSQKUFWBBUUNZ-UHFFFAOYSA-N
XLogP12.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
CID 177100994
N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158852799
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
23-[3-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158340631
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
CID 168798372
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 146321372
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline (CID 146334532) is N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline is c1ccc(-c2ccc3c4c2-c2ccccc2-c2cccc5ccc(c4c25)n3-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline?
The InChIKey is QQSQKUFWBBUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-4-14-31(15-5-1)37-27-29-42-46-44(37)40-24-11-10-23-38(40)39-25-12-16-32-26-28-41(45(46)43(32)39)48(42)36-22-13-21-35(30-36)47(33-17-6-2-7-18-33)34-19-8-3-9-20-34/h1-30H.
What are the key properties of N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline?
N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline has a molecular weight of 610.76 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaen-23-yl)aniline is sourced from PubChem (CID 146334532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).