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

C136H88N8 — CID 161083151

IUPACN-[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
SMILESc1ccc(N(c2ccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c23)cc1
InChIInChI=1S/2C68H44N4/c1-3-16-53(17-4-1)71(55-36-39-64-60(44-55)56-20-9-10-24-63(56)72(64)54-18-5-2-6-19-54)65-25-11-23-59-66(47-30-26-45(27-31-47)49-34-37-61-51(42-49)14-12-40-69-61)57-21-7-8-22-58(57)67(68(59)65)48-32-28-46(29-33-48)50-35-38-62-52(43-50)15-13-41-70-62;1-3-15-53(16-4-1)71(56-34-38-66-61(43-56)57-19-9-10-22-65(57)72(66)54-17-5-2-6-18-54)55-33-35-60-62(44-55)68(48-29-25-46(26-30-48)50-32-37-64-52(42-50)14-12-40-70-64)59-21-8-7-20-58(59)67(60)47-27-23-45(24-28-47)49-31-36-63-51(41-49)13-11-39-69-63/h2*1-44H
InChIKeyUGDZQLMIFMLUQN-UHFFFAOYSA-N
MW1834.26 g/mol
LogP36.65
Rot. Bonds16

About 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

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 (PubChem CID 161083151) has the molecular formula C136H88N8 and a molecular weight of 1834.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161083151
Molecular FormulaC136H88N8
Molecular Weight1834.26 g/mol
Exact Mass1832.71
IUPAC NameN-[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
SMILESc1ccc(N(c2ccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c23)cc1
InChIInChI=1S/2C68H44N4/c1-3-16-53(17-4-1)71(55-36-39-64-60(44-55)56-20-9-10-24-63(56)72(64)54-18-5-2-6-19-54)65-25-11-23-59-66(47-30-26-45(27-31-47)49-34-37-61-51(42-49)14-12-40-69-61)57-21-7-8-22-58(57)67(68(59)65)48-32-28-46(29-33-48)50-35-38-62-52(43-50)15-13-41-70-62;1-3-15-53(16-4-1)71(56-34-38-66-61(43-56)57-19-9-10-22-65(57)72(66)54-17-5-2-6-18-54)55-33-35-60-62(44-55)68(48-29-25-46(26-30-48)50-32-37-64-52(42-50)14-12-40-70-64)59-21-8-7-20-58(59)67(60)47-27-23-45(24-28-47)49-31-36-63-51(41-49)13-11-39-69-63/h2*1-44H
InChIKeyUGDZQLMIFMLUQN-UHFFFAOYSA-N
XLogP36.65
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.26
LogP ≤ 536.65
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(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 with MolForge

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Related Compounds

N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
CID 59211139
N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
CID 59211188
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)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-1-amine;N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 159313208
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-quinolin-7-ylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-quinolin-7-ylphenyl)anthracen-2-amine
CID 161402037
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
4-[10-(4-carboxyphenyl)-4-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]benzoic acid
CID 59211126
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
9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine
CID 59844236
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
4-N-[9,10-bis(3-quinolin-7-ylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59211045

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c23)cc1.
What is the InChIKey of 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?
The InChIKey is UGDZQLMIFMLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H44N4/c1-3-16-53(17-4-1)71(55-36-39-64-60(44-55)56-20-9-10-24-63(56)72(64)54-18-5-2-6-19-54)65-25-11-23-59-66(47-30-26-45(27-31-47)49-34-37-61-51(42-49)14-12-40-69-61)57-21-7-8-22-58(57)67(68(59)65)48-32-28-46(29-33-48)50-35-38-62-52(43-50)15-13-41-70-62;1-3-15-53(16-4-1)71(56-34-38-66-61(43-56)57-19-9-10-22-65(57)72(66)54-17-5-2-6-18-54)55-33-35-60-62(44-55)68(48-29-25-46(26-30-48)50-32-37-64-52(42-50)14-12-40-70-64)59-21-8-7-20-58(59)67(60)47-27-23-45(24-28-47)49-31-36-63-51(41-49)13-11-39-69-63/h2*1-44H.
What are the key properties of 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?
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 has a molecular weight of 1834.26 g/mol, XLogP of 36.65, 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(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 is sourced from PubChem (CID 161083151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).