N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine

C56H40N2 — CID 88979154

IUPACN,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CCc2c1c1cc(N(c3ccccc3)c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C56H40N2/c1-5-17-39(18-6-1)40-29-31-41(32-30-40)43-33-35-53-51(37-43)52-38-46(34-36-54(52)58(53)45-23-11-4-12-24-45)57(44-21-9-3-10-22-44)56-49-27-15-13-25-47(49)55(42-19-7-2-8-20-42)48-26-14-16-28-50(48)56/h1-32,34,36-38H,33,35H2
InChIKeyYFAQDUBCUYRFLS-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.23
Rot. Bonds7

About N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine

N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine (PubChem CID 88979154) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
PubChem CID88979154
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC NameN,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CCc2c1c1cc(N(c3ccccc3)c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C56H40N2/c1-5-17-39(18-6-1)40-29-31-41(32-30-40)43-33-35-53-51(37-43)52-38-46(34-36-54(52)58(53)45-23-11-4-12-24-45)57(44-21-9-3-10-22-44)56-49-27-15-13-25-47(49)55(42-19-7-2-8-20-42)48-26-14-16-28-50(48)56/h1-32,34,36-38H,33,35H2
InChIKeyYFAQDUBCUYRFLS-UHFFFAOYSA-N
XLogP15.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
CID 58273909
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenyl-1,2-dihydrocarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 155073664
6-(3-methyl-4-phenylphenyl)-N-naphthalen-1-yl-9-phenyl-N-[9-phenyl-6-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]-7,8-dihydrocarbazol-3-amine
CID 143516099
6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 158721226
N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 59010605
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-carbazol-9-ylphenyl)-N,10-diphenylanthracen-9-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(2-phenylphenyl)anthracen-9-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(3-phenylphenyl)anthracen-9-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(4-phenylphenyl)anthracen-9-amine
CID 159089879
6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850679

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine (CID 88979154) is N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine is C1=C(c2ccc(-c3ccccc3)cc2)CCc2c1c1cc(N(c3ccccc3)c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc1n2-c1ccccc1.
What is the InChIKey of N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine?
The InChIKey is YFAQDUBCUYRFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-5-17-39(18-6-1)40-29-31-41(32-30-40)43-33-35-53-51(37-43)52-38-46(34-36-54(52)58(53)45-23-11-4-12-24-45)57(44-21-9-3-10-22-44)56-49-27-15-13-25-47(49)55(42-19-7-2-8-20-42)48-26-14-16-28-50(48)56/h1-32,34,36-38H,33,35H2.
What are the key properties of N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine?
N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine has a molecular weight of 740.95 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine is sourced from PubChem (CID 88979154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).