7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine

C60H39N3 — CID 88884831

IUPAC7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C60H39N3/c1-3-17-42(18-4-1)61(43-19-5-2-6-20-43)44-32-34-50-49-33-31-40(37-55(49)47-21-7-8-22-48(47)56(50)39-44)41-35-45(62-57-27-13-9-23-51(57)52-24-10-14-28-58(52)62)38-46(36-41)63-59-29-15-11-25-53(59)54-26-12-16-30-60(54)63/h1-39H
InChIKeyOQNSSRLNBFPDDU-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.48
Rot. Bonds6

About 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine

7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine (PubChem CID 88884831) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine.

Molecular Properties

Compound Name7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
PubChem CID88884831
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C60H39N3/c1-3-17-42(18-4-1)61(43-19-5-2-6-20-43)44-32-34-50-49-33-31-40(37-55(49)47-21-7-8-22-48(47)56(50)39-44)41-35-45(62-57-27-13-9-23-51(57)52-24-10-14-28-58(52)62)38-46(36-41)63-59-29-15-11-25-53(59)54-26-12-16-30-60(54)63/h1-39H
InChIKeyOQNSSRLNBFPDDU-UHFFFAOYSA-N
XLogP16.48
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
CID 146578481
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
9-[3-carbazol-9-yl-5-(7-carbazol-9-yltriphenylen-2-yl)phenyl]carbazole
CID 88884836
1-N,1-N,3-N,3-N-tetraphenyl-5-(23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)benzene-1,3-diamine
CID 89417810
(4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene
CID 159551353
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272033
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;N-phenyl-3-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159658114

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine?
The IUPAC name of 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine (CID 88884831) is 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine.
What is the SMILES notation for 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine?
The canonical SMILES for 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4c4ccccc4c3c2)cc1.
What is the InChIKey of 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine?
The InChIKey is OQNSSRLNBFPDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-17-42(18-4-1)61(43-19-5-2-6-20-43)44-32-34-50-49-33-31-40(37-55(49)47-21-7-8-22-48(47)56(50)39-44)41-35-45(62-57-27-13-9-23-51(57)52-24-10-14-28-58(52)62)38-46(36-41)63-59-29-15-11-25-53(59)54-26-12-16-30-60(54)63/h1-39H.
What are the key properties of 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine?
7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine has a molecular weight of 801.99 g/mol, XLogP of 16.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine is sourced from PubChem (CID 88884831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).