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

C99H68N4 — CID 59010605

IUPACN-[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
SMILESCc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)c2c1
InChIInChI=1S/C99H68N4/c1-67-36-57-88-93(62-67)99(75-47-53-83(54-48-75)101(79-28-14-5-15-29-79)85-56-61-97-92(66-85)90-64-77(50-59-95(90)103(97)81-32-18-7-19-33-81)73-43-39-71(40-44-73)69-24-10-3-11-25-69)87-35-21-20-34-86(87)98(88)74-45-51-82(52-46-74)100(78-26-12-4-13-27-78)84-55-60-96-91(65-84)89-63-76(49-58-94(89)102(96)80-30-16-6-17-31-80)72-41-37-70(38-42-72)68-22-8-2-9-23-68/h2-66H,1H3
InChIKeyDUEUWXMXDLHMQI-UHFFFAOYSA-N
MW1313.66 g/mol
LogP27.44
Rot. Bonds14

About 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

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 (PubChem CID 59010605) has the molecular formula C99H68N4 and a molecular weight of 1313.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59010605
Molecular FormulaC99H68N4
Molecular Weight1313.66 g/mol
Exact Mass1312.54
IUPAC NameN-[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
SMILESCc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)c2c1
InChIInChI=1S/C99H68N4/c1-67-36-57-88-93(62-67)99(75-47-53-83(54-48-75)101(79-28-14-5-15-29-79)85-56-61-97-92(66-85)90-64-77(50-59-95(90)103(97)81-32-18-7-19-33-81)73-43-39-71(40-44-73)69-24-10-3-11-25-69)87-35-21-20-34-86(87)98(88)74-45-51-82(52-46-74)100(78-26-12-4-13-27-78)84-55-60-96-91(65-84)89-63-76(49-58-94(89)102(96)80-30-16-6-17-31-80)72-41-37-70(38-42-72)68-22-8-2-9-23-68/h2-66H,1H3
InChIKeyDUEUWXMXDLHMQI-UHFFFAOYSA-N
XLogP27.44
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.66
LogP ≤ 527.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-phenyl-9-(4-phenylphenyl)-N-[4-[10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 161274378
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
6-ethyl-N-[4-[10-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[3-methyl-10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159561442
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
CID 58273909
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)c2c1.
What is the InChIKey of 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?
The InChIKey is DUEUWXMXDLHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H68N4/c1-67-36-57-88-93(62-67)99(75-47-53-83(54-48-75)101(79-28-14-5-15-29-79)85-56-61-97-92(66-85)90-64-77(50-59-95(90)103(97)81-32-18-7-19-33-81)73-43-39-71(40-44-73)69-24-10-3-11-25-69)87-35-21-20-34-86(87)98(88)74-45-51-82(52-46-74)100(78-26-12-4-13-27-78)84-55-60-96-91(65-84)89-63-76(49-58-94(89)102(96)80-30-16-6-17-31-80)72-41-37-70(38-42-72)68-22-8-2-9-23-68/h2-66H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1313.66 g/mol, XLogP of 27.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59010605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).