N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline

C62H42N2 — CID 59827974

IUPACN-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)cc5)ccc43)c2)cc1
InChIInChI=1S/C62H42N2/c1-4-17-43(18-5-1)47-21-16-24-52(41-47)64-59-30-15-14-25-53(59)58-42-48(35-40-60(58)64)44-31-36-50(37-32-44)63(49-22-8-3-9-23-49)51-38-33-46(34-39-51)62-56-28-12-10-26-54(56)61(45-19-6-2-7-20-45)55-27-11-13-29-57(55)62/h1-42H
InChIKeyDIFWWXJMNBHMNB-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline

N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline (PubChem CID 59827974) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
PubChem CID59827974
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)cc5)ccc43)c2)cc1
InChIInChI=1S/C62H42N2/c1-4-17-43(18-5-1)47-21-16-24-52(41-47)64-59-30-15-14-25-53(59)58-42-48(35-40-60(58)64)44-31-36-50(37-32-44)63(49-22-8-3-9-23-49)51-38-33-46(34-39-51)62-56-28-12-10-26-54(56)61(45-19-6-2-7-20-45)55-27-11-13-29-57(55)62/h1-42H
InChIKeyDIFWWXJMNBHMNB-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
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
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
The IUPAC name of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline (CID 59827974) is N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline.
What is the SMILES notation for N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
The canonical SMILES for N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)cc5)ccc43)c2)cc1.
What is the InChIKey of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
The InChIKey is DIFWWXJMNBHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-4-17-43(18-5-1)47-21-16-24-52(41-47)64-59-30-15-14-25-53(59)58-42-48(35-40-60(58)64)44-31-36-50(37-32-44)63(49-22-8-3-9-23-49)51-38-33-46(34-39-51)62-56-28-12-10-26-54(56)61(45-19-6-2-7-20-45)55-27-11-13-29-57(55)62/h1-42H.
What are the key properties of N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline is sourced from PubChem (CID 59827974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).