N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine

C68H44N4 — CID 59211188

IUPACN-[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
InChIInChI=1S/C68H44N4/c1-3-15-53(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/h1-44H
InChIKeyXFJAUJVRGFKGAV-UHFFFAOYSA-N
MW917.13 g/mol
LogP18.32
Rot. Bonds8

About 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-2-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59211188) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is 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-2-yl]-N,9-diphenylcarbazol-3-amine
PubChem CID59211188
Molecular FormulaC68H44N4
Molecular Weight917.13 g/mol
Exact Mass916.36
IUPAC NameN-[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
InChIInChI=1S/C68H44N4/c1-3-15-53(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/h1-44H
InChIKeyXFJAUJVRGFKGAV-UHFFFAOYSA-N
XLogP18.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.13
LogP ≤ 518.32
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(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
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 59211203
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
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
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325
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-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 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-2-yl]-N,9-diphenylcarbazol-3-amine (CID 59211188) is 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-2-yl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 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.
What is the InChIKey of N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is XFJAUJVRGFKGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-3-15-53(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/h1-44H.
What are the key properties of 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-2-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 917.13 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-2-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).