4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole

C133H137N9 — CID 159950534

IUPAC4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(CCCCCCCC)ccc54)ccc32)cc1.C=Cc1ccc(-n2c3ccncc3c3cc(CCCCCCCC)ccc32)cc1.C=Cc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(CCCCCCCC)ccc43)cc2)cc1.C=Cc1cnc(-n2c3ccccc3c3cc(CCCCCCCC)ccc32)nc1
InChIInChI=1S/C40H38N2.C40H40N2.C27H30N2.C26H29N3/c1-3-5-6-7-8-9-14-30-21-25-39-35(27-30)33-15-10-13-18-38(33)42(39)32-24-26-40-36(28-32)34-16-11-12-17-37(34)41(40)31-22-19-29(4-2)20-23-31;1-3-5-6-7-8-10-15-32-22-29-40-38(30-32)37-18-13-14-19-39(37)42(40)36-27-25-35(26-28-36)41(33-16-11-9-12-17-33)34-23-20-31(4-2)21-24-34;1-3-5-6-7-8-9-10-22-13-16-26-24(19-22)25-20-28-18-17-27(25)29(26)23-14-11-21(4-2)12-15-23;1-3-5-6-7-8-9-12-21-15-16-25-23(17-21)22-13-10-11-14-24(22)29(25)26-27-18-20(4-2)19-28-26/h4,10-13,15-28H,2-3,5-9,14H2,1H3;4,9,11-14,16-30H,2-3,5-8,10,15H2,1H3;4,11-20H,2-3,5-10H2,1H3;4,10-11,13-19H,2-3,5-9,12H2,1H3
InChIKeyOCAYTZGSEKYSQE-UHFFFAOYSA-N
MW1861.62 g/mol
LogP38.07
Rot. Bonds40

About 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole

4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole (PubChem CID 159950534) has the molecular formula C133H137N9 and a molecular weight of 1861.62 g/mol. Its IUPAC name is 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole.

Molecular Properties

Compound Name4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole
PubChem CID159950534
Molecular FormulaC133H137N9
Molecular Weight1861.62 g/mol
Exact Mass1860.10
IUPAC Name4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(CCCCCCCC)ccc54)ccc32)cc1.C=Cc1ccc(-n2c3ccncc3c3cc(CCCCCCCC)ccc32)cc1.C=Cc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(CCCCCCCC)ccc43)cc2)cc1.C=Cc1cnc(-n2c3ccccc3c3cc(CCCCCCCC)ccc32)nc1
InChIInChI=1S/C40H38N2.C40H40N2.C27H30N2.C26H29N3/c1-3-5-6-7-8-9-14-30-21-25-39-35(27-30)33-15-10-13-18-38(33)42(39)32-24-26-40-36(28-32)34-16-11-12-17-37(34)41(40)31-22-19-29(4-2)20-23-31;1-3-5-6-7-8-10-15-32-22-29-40-38(30-32)37-18-13-14-19-39(37)42(40)36-27-25-35(26-28-36)41(33-16-11-9-12-17-33)34-23-20-31(4-2)21-24-34;1-3-5-6-7-8-9-10-22-13-16-26-24(19-22)25-20-28-18-17-27(25)29(26)23-14-11-21(4-2)12-15-23;1-3-5-6-7-8-9-12-21-15-16-25-23(17-21)22-13-10-11-14-24(22)29(25)26-27-18-20(4-2)19-28-26/h4,10-13,15-28H,2-3,5-9,14H2,1H3;4,9,11-14,16-30H,2-3,5-8,10,15H2,1H3;4,11-20H,2-3,5-10H2,1H3;4,10-11,13-19H,2-3,5-9,12H2,1H3
InChIKeyOCAYTZGSEKYSQE-UHFFFAOYSA-N
XLogP38.07
TPSA66.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds40
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001861.62
LogP ≤ 538.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole with MolForge

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Related Compounds

N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine
CID 159122410
4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 176734791
5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 147484515
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole?
The IUPAC name of 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole (CID 159950534) is 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole.
What is the SMILES notation for 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole?
The canonical SMILES for 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole is C=Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(CCCCCCCC)ccc54)ccc32)cc1.C=Cc1ccc(-n2c3ccncc3c3cc(CCCCCCCC)ccc32)cc1.C=Cc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(CCCCCCCC)ccc43)cc2)cc1.C=Cc1cnc(-n2c3ccccc3c3cc(CCCCCCCC)ccc32)nc1.
What is the InChIKey of 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole?
The InChIKey is OCAYTZGSEKYSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N2.C40H40N2.C27H30N2.C26H29N3/c1-3-5-6-7-8-9-14-30-21-25-39-35(27-30)33-15-10-13-18-38(33)42(39)32-24-26-40-36(28-32)34-16-11-12-17-37(34)41(40)31-22-19-29(4-2)20-23-31;1-3-5-6-7-8-10-15-32-22-29-40-38(30-32)37-18-13-14-19-39(37)42(40)36-27-25-35(26-28-36)41(33-16-11-9-12-17-33)34-23-20-31(4-2)21-24-34;1-3-5-6-7-8-9-10-22-13-16-26-24(19-22)25-20-28-18-17-27(25)29(26)23-14-11-21(4-2)12-15-23;1-3-5-6-7-8-9-12-21-15-16-25-23(17-21)22-13-10-11-14-24(22)29(25)26-27-18-20(4-2)19-28-26/h4,10-13,15-28H,2-3,5-9,14H2,1H3;4,9,11-14,16-30H,2-3,5-8,10,15H2,1H3;4,11-20H,2-3,5-10H2,1H3;4,10-11,13-19H,2-3,5-9,12H2,1H3.
What are the key properties of 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole?
4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole has a molecular weight of 1861.62 g/mol, XLogP of 38.07, 40 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole is sourced from PubChem (CID 159950534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).