N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline

C68H44N2 — CID 89491984

IUPACN-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6cc7ccccc7c7ccccc67)ccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C68H44N2/c1-3-15-45(16-4-1)46-27-33-52(34-28-46)69(51-18-5-2-6-19-51)53-35-29-47(30-36-53)48-31-39-67-65(41-48)66-43-50(63-42-49-17-7-8-20-55(49)56-21-9-13-25-60(56)63)32-40-68(66)70(67)54-37-38-62-59-24-11-10-22-57(59)58-23-12-14-26-61(58)64(62)44-54/h1-44H
InChIKeyQQDVVLRJPCUBIS-UHFFFAOYSA-N
MW889.11 g/mol
LogP19.02
Rot. Bonds7

About N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline

N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline (PubChem CID 89491984) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline
PubChem CID89491984
Molecular FormulaC68H44N2
Molecular Weight889.11 g/mol
Exact Mass888.35
IUPAC NameN-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6cc7ccccc7c7ccccc67)ccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C68H44N2/c1-3-15-45(16-4-1)46-27-33-52(34-28-46)69(51-18-5-2-6-19-51)53-35-29-47(30-36-53)48-31-39-67-65(41-48)66-43-50(63-42-49-17-7-8-20-55(49)56-21-9-13-25-60(56)63)32-40-68(66)70(67)54-37-38-62-59-24-11-10-22-57(59)58-23-12-14-26-61(58)64(62)44-54/h1-44H
InChIKeyQQDVVLRJPCUBIS-UHFFFAOYSA-N
XLogP19.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 519.02
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

4-(6-phenanthren-9-ylnaphthalen-2-yl)-N,N-diphenylaniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158840520
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
6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492179
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
4-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211161
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
6-[4-(N-phenylanilino)phenyl]-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492082
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline (CID 89491984) is N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6cc7ccccc7c7ccccc67)ccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is QQDVVLRJPCUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-3-15-45(16-4-1)46-27-33-52(34-28-46)69(51-18-5-2-6-19-51)53-35-29-47(30-36-53)48-31-39-67-65(41-48)66-43-50(63-42-49-17-7-8-20-55(49)56-21-9-13-25-60(56)63)32-40-68(66)70(67)54-37-38-62-59-24-11-10-22-57(59)58-23-12-14-26-61(58)64(62)44-54/h1-44H.
What are the key properties of N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline?
N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 889.11 g/mol, XLogP of 19.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenanthren-9-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 89491984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).