N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine

C60H40N4 — CID 59211181

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c3c2)cc1
InChIInChI=1S/C60H40N4/c1-2-20-45(21-3-1)63(46-30-32-47(33-31-46)64-57-28-8-6-22-49(57)50-23-7-9-29-58(50)64)48-34-35-53-54(40-48)60(44-19-15-17-42(39-44)56-27-11-13-37-62-56)52-25-5-4-24-51(52)59(53)43-18-14-16-41(38-43)55-26-10-12-36-61-55/h1-40H
InChIKeyIEZLAIRRCBCKGW-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.02
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine

N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine (PubChem CID 59211181) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
PubChem CID59211181
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c3c2)cc1
InChIInChI=1S/C60H40N4/c1-2-20-45(21-3-1)63(46-30-32-47(33-31-46)64-57-28-8-6-22-49(57)50-23-7-9-29-58(50)64)48-34-35-53-54(40-48)60(44-19-15-17-42(39-44)56-27-11-13-37-62-56)52-25-5-4-24-51(52)59(53)43-18-14-16-41(38-43)55-26-10-12-36-61-55/h1-40H
InChIKeyIEZLAIRRCBCKGW-UHFFFAOYSA-N
XLogP16.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[9,10-bis(3-pyridin-2-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine;N-[9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 162236994
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(4-pyridin-2-ylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-amine
CID 158911182
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211049
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
methyl 3-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(3-methoxycarbonylphenyl)anthracen-9-yl]benzoate
CID 59211124
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[3-(trifluoromethyl)phenyl]anthracen-2-amine
CID 59211087
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 59211188
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine (CID 59211181) is N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c3c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine?
The InChIKey is IEZLAIRRCBCKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-2-20-45(21-3-1)63(46-30-32-47(33-31-46)64-57-28-8-6-22-49(57)50-23-7-9-29-58(50)64)48-34-35-53-54(40-48)60(44-19-15-17-42(39-44)56-27-11-13-37-62-56)52-25-5-4-24-51(52)59(53)43-18-14-16-41(38-43)55-26-10-12-36-61-55/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine has a molecular weight of 817.01 g/mol, XLogP of 16.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine is sourced from PubChem (CID 59211181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).