4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

C78H72N4 — CID 102495876

IUPAC4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESCCCCCCCCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C78H72N4/c1-2-3-4-5-6-7-8-9-10-29-56-79-77-55-48-63(60-42-49-71(50-43-60)80(65-30-17-11-18-31-65)66-32-19-12-20-33-66)57-75(77)76-59-64(61-44-51-72(52-45-61)81(67-34-21-13-22-35-67)68-36-23-14-24-37-68)58-74(78(76)79)62-46-53-73(54-47-62)82(69-38-25-15-26-39-69)70-40-27-16-28-41-70/h11-28,30-55,57-59H,2-10,29,56H2,1H3
InChIKeyTYAILTZUJDMCKJ-UHFFFAOYSA-N
MW1065.46 g/mol
LogP23.13
Rot. Bonds23

About 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 102495876) has the molecular formula C78H72N4 and a molecular weight of 1065.46 g/mol. Its IUPAC name is 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID102495876
Molecular FormulaC78H72N4
Molecular Weight1065.46 g/mol
Exact Mass1064.58
IUPAC Name4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESCCCCCCCCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21
InChIInChI=1S/C78H72N4/c1-2-3-4-5-6-7-8-9-10-29-56-79-77-55-48-63(60-42-49-71(50-43-60)80(65-30-17-11-18-31-65)66-32-19-12-20-33-66)57-75(77)76-59-64(61-44-51-72(52-45-61)81(67-34-21-13-22-35-67)68-36-23-14-24-37-68)58-74(78(76)79)62-46-53-73(54-47-62)82(69-38-25-15-26-39-69)70-40-27-16-28-41-70/h11-28,30-55,57-59H,2-10,29,56H2,1H3
InChIKeyTYAILTZUJDMCKJ-UHFFFAOYSA-N
XLogP23.13
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.46
LogP ≤ 523.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
CID 156767863
N,N-bis(4-methoxyphenyl)-4-[9,18,27-trihexyl-14,23-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]aniline
CID 131970444
5-[9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]thiophene-2-carbaldehyde
CID 102491581
9-hexyl-3-N,6-N-dinaphthalen-2-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 142740904
N,N-diphenyl-4-[23-[4-(N-phenylanilino)phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl]aniline
CID 121386055
4-[14,23-bis(4-formylphenyl)-18,27-dihexyl-9-methyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]benzaldehyde
CID 143088809
9-ethyl-1,3,6-tripyridin-4-ylcarbazole
CID 141362770
9-octyl-3-[5-(9-octylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 122216627
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
CID 56851506
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
benzene;9-octylcarbazole
CID 175067369

Frequently Asked Questions

What is the IUPAC name of 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (CID 102495876) is 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is CCCCCCCCCCCCn1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c21.
What is the InChIKey of 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is TYAILTZUJDMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H72N4/c1-2-3-4-5-6-7-8-9-10-29-56-79-77-55-48-63(60-42-49-71(50-43-60)80(65-30-17-11-18-31-65)66-32-19-12-20-33-66)57-75(77)76-59-64(61-44-51-72(52-45-61)81(67-34-21-13-22-35-67)68-36-23-14-24-37-68)58-74(78(76)79)62-46-53-73(54-47-62)82(69-38-25-15-26-39-69)70-40-27-16-28-41-70/h11-28,30-55,57-59H,2-10,29,56H2,1H3.
What are the key properties of 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 1065.46 g/mol, XLogP of 23.13, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 102495876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).