N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline

C60H42N2 — CID 129095714

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Cc4cccc6cccc(c46)Cc4ccccc4-5)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-2-12-41(13-3-1)42-24-29-50(30-25-42)61(52-33-35-53(36-34-52)62-58-22-8-6-20-56(58)57-21-7-9-23-59(57)62)51-31-26-43(27-32-51)45-28-37-55-49(38-45)40-48-18-11-16-44-15-10-17-47(60(44)48)39-46-14-4-5-19-54(46)55/h1-38H,39-40H2
InChIKeyPBMJNLBOWBVUSH-UHFFFAOYSA-N
MW791.01 g/mol
LogP15.90
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline

N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline (PubChem CID 129095714) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline
PubChem CID129095714
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Cc4cccc6cccc(c46)Cc4ccccc4-5)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-2-12-41(13-3-1)42-24-29-50(30-25-42)61(52-33-35-53(36-34-52)62-58-22-8-6-20-56(58)57-21-7-9-23-59(57)62)51-31-26-43(27-32-51)45-28-37-55-49(38-45)40-48-18-11-16-44-15-10-17-47(60(44)48)39-46-14-4-5-19-54(46)55/h1-38H,39-40H2
InChIKeyPBMJNLBOWBVUSH-UHFFFAOYSA-N
XLogP15.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline with MolForge

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Related Compounds

N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
CID 143813917
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline (CID 129095714) is N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)Cc4cccc6cccc(c46)Cc4ccccc4-5)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline?
The InChIKey is PBMJNLBOWBVUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-2-12-41(13-3-1)42-24-29-50(30-25-42)61(52-33-35-53(36-34-52)62-58-22-8-6-20-56(58)57-21-7-9-23-59(57)62)51-31-26-43(27-32-51)45-28-37-55-49(38-45)40-48-18-11-16-44-15-10-17-47(60(44)48)39-46-14-4-5-19-54(46)55/h1-38H,39-40H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline?
N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline has a molecular weight of 791.01 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 129095714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).