N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine

C54H36N2 — CID 138746953

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C54H36N2/c1-2-13-37(14-3-1)40-15-12-16-43(35-40)55(44-33-34-49-47-19-5-4-17-45(47)46-18-6-7-20-48(46)52(49)36-44)41-29-25-38(26-30-41)39-27-31-42(32-28-39)56-53-23-10-8-21-50(53)51-22-9-11-24-54(51)56/h1-36H
InChIKeyQUXFRFAWZKZFBN-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine (PubChem CID 138746953) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
PubChem CID138746953
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C54H36N2/c1-2-13-37(14-3-1)40-15-12-16-43(35-40)55(44-33-34-49-47-19-5-4-17-45(47)46-18-6-7-20-48(46)52(49)36-44)41-29-25-38(26-30-41)39-27-31-42(32-28-39)56-53-23-10-8-21-50(53)51-22-9-11-24-54(51)56/h1-36H
InChIKeyQUXFRFAWZKZFBN-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
CID 146578481
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-[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-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-5-amine
CID 177100543
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine (CID 138746953) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
The InChIKey is QUXFRFAWZKZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-13-37(14-3-1)40-15-12-16-43(35-40)55(44-33-34-49-47-19-5-4-17-45(47)46-18-6-7-20-48(46)52(49)36-44)41-29-25-38(26-30-41)39-27-31-42(32-28-39)56-53-23-10-8-21-50(53)51-22-9-11-24-54(51)56/h1-36H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 138746953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).