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

C120H80N8 — CID 162236994

IUPACN-[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
SMILESc1ccc(N(c2ccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c23)cc1
InChIInChI=1S/2C60H40N4/c1-3-22-45(23-4-1)63(47-34-35-56-52(40-47)48-26-9-10-32-55(48)64(56)46-24-5-2-6-25-46)57-33-17-29-51-58(43-20-15-18-41(38-43)53-30-11-13-36-61-53)49-27-7-8-28-50(49)59(60(51)57)44-21-16-19-42(39-44)54-31-12-14-37-62-54;1-3-21-45(22-4-1)63(48-32-34-58-53(39-48)49-25-9-10-30-57(49)64(58)46-23-5-2-6-24-46)47-31-33-52-54(40-47)60(44-20-16-18-42(38-44)56-29-12-14-36-62-56)51-27-8-7-26-50(51)59(52)43-19-15-17-41(37-43)55-28-11-13-35-61-55/h2*1-40H
InChIKeyZWEPPQKPQOKSKZ-UHFFFAOYSA-N
MW1634.02 g/mol
LogP32.04
Rot. Bonds16

About 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

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 (PubChem CID 162236994) has the molecular formula C120H80N8 and a molecular weight of 1634.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162236994
Molecular FormulaC120H80N8
Molecular Weight1634.02 g/mol
Exact Mass1632.65
IUPAC NameN-[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
SMILESc1ccc(N(c2ccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c23)cc1
InChIInChI=1S/2C60H40N4/c1-3-22-45(23-4-1)63(47-34-35-56-52(40-47)48-26-9-10-32-55(48)64(56)46-24-5-2-6-25-46)57-33-17-29-51-58(43-20-15-18-41(38-43)53-30-11-13-36-61-53)49-27-7-8-28-50(49)59(60(51)57)44-21-16-19-42(39-44)54-31-12-14-37-62-54;1-3-21-45(22-4-1)63(48-32-34-58-53(39-48)49-25-9-10-30-57(49)64(58)46-23-5-2-6-24-46)47-31-33-52-54(40-47)60(44-20-16-18-42(38-44)56-29-12-14-36-62-56)51-27-8-7-26-50(51)59(52)43-19-15-17-41(37-43)55-28-11-13-35-61-55/h2*1-40H
InChIKeyZWEPPQKPQOKSKZ-UHFFFAOYSA-N
XLogP32.04
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001634.02
LogP ≤ 532.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine;N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 161083151
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211139
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
4-[10-(4-carboxyphenyl)-4-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]benzoic acid
CID 59211126
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211049
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9-[3-(2-phenyl-1,2,4-oxadiazol-2-ium-5-yl)phenyl]-10-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
CID 158151865
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 160993422
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 59211188
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4cccc(-c5ccccn5)c4)c4ccccc4c(-c4cccc(-c5ccccn5)c4)c23)cc1.
What is the InChIKey of 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?
The InChIKey is ZWEPPQKPQOKSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H40N4/c1-3-22-45(23-4-1)63(47-34-35-56-52(40-47)48-26-9-10-32-55(48)64(56)46-24-5-2-6-25-46)57-33-17-29-51-58(43-20-15-18-41(38-43)53-30-11-13-36-61-53)49-27-7-8-28-50(49)59(60(51)57)44-21-16-19-42(39-44)54-31-12-14-37-62-54;1-3-21-45(22-4-1)63(48-32-34-58-53(39-48)49-25-9-10-30-57(49)64(58)46-23-5-2-6-24-46)47-31-33-52-54(40-47)60(44-20-16-18-42(38-44)56-29-12-14-36-62-56)51-27-8-7-26-50(51)59(52)43-19-15-17-41(37-43)55-28-11-13-35-61-55/h2*1-40H.
What are the key properties of 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?
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 has a molecular weight of 1634.02 g/mol, XLogP of 32.04, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162236994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).