2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine

C74H53N5 — CID 172546753

IUPAC2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4)c3c2)cc1
InChIInChI=1S/C74H53N5/c1-9-27-54(28-10-1)75(55-29-11-2-12-30-55)62-46-49-67-69(52-62)73(77(58-35-17-5-18-36-58)59-37-19-6-20-38-59)66-48-45-63(76(56-31-13-3-14-32-56)57-33-15-4-16-34-57)53-70(66)74(67)78(60-39-21-7-22-40-60)64-47-50-72-68(51-64)65-43-25-26-44-71(65)79(72)61-41-23-8-24-42-61/h1-53H
InChIKeyIVJJCIQIXVQEGE-UHFFFAOYSA-N
MW1012.27 g/mol
LogP20.97
Rot. Bonds13

About 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine

2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine (PubChem CID 172546753) has the molecular formula C74H53N5 and a molecular weight of 1012.27 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
PubChem CID172546753
Molecular FormulaC74H53N5
Molecular Weight1012.27 g/mol
Exact Mass1011.43
IUPAC Name2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4)c3c2)cc1
InChIInChI=1S/C74H53N5/c1-9-27-54(28-10-1)75(55-29-11-2-12-30-55)62-46-49-67-69(52-62)73(77(58-35-17-5-18-36-58)59-37-19-6-20-38-59)66-48-45-63(76(56-31-13-3-14-32-56)57-33-15-4-16-34-57)53-70(66)74(67)78(60-39-21-7-22-40-60)64-47-50-72-68(51-64)65-43-25-26-44-71(65)79(72)61-41-23-8-24-42-61/h1-53H
InChIKeyIVJJCIQIXVQEGE-UHFFFAOYSA-N
XLogP20.97
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.27
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine with MolForge

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine
CID 59010583
N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
CID 58273909
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
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-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine?
The IUPAC name of 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine (CID 172546753) is 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine.
What is the SMILES notation for 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine?
The canonical SMILES for 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine is c1ccc(N(c2ccccc2)c2ccc3c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine?
The InChIKey is IVJJCIQIXVQEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53N5/c1-9-27-54(28-10-1)75(55-29-11-2-12-30-55)62-46-49-67-69(52-62)73(77(58-35-17-5-18-36-58)59-37-19-6-20-38-59)66-48-45-63(76(56-31-13-3-14-32-56)57-33-15-4-16-34-57)53-70(66)74(67)78(60-39-21-7-22-40-60)64-47-50-72-68(51-64)65-43-25-26-44-71(65)79(72)61-41-23-8-24-42-61/h1-53H.
What are the key properties of 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine?
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine has a molecular weight of 1012.27 g/mol, XLogP of 20.97, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine is sourced from PubChem (CID 172546753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).