N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine

C66H44N4 — CID 172537557

IUPACN-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N4/c1-3-15-49(16-4-1)67(53-39-41-65-59(43-53)57-21-9-13-25-63(57)68(65)50-17-5-2-6-18-50)54-40-42-66-60(44-54)58-22-10-14-26-64(58)70(66)52-37-33-48(34-38-52)46-29-27-45(28-30-46)47-31-35-51(36-32-47)69-61-23-11-7-19-55(61)56-20-8-12-24-62(56)69/h1-44H
InChIKeyDQIVMOZAPNSWPC-UHFFFAOYSA-N
MW893.11 g/mol
LogP17.78
Rot. Bonds8

About N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine

N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 172537557) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol. Its IUPAC name is N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
PubChem CID172537557
Molecular FormulaC66H44N4
Molecular Weight893.11 g/mol
Exact Mass892.36
IUPAC NameN-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N4/c1-3-15-49(16-4-1)67(53-39-41-65-59(43-53)57-21-9-13-25-63(57)68(65)50-17-5-2-6-18-50)54-40-42-66-60(44-54)58-22-10-14-26-64(58)70(66)52-37-33-48(34-38-52)46-29-27-45(28-30-46)47-31-35-51(36-32-47)69-61-23-11-7-19-55(61)56-20-8-12-24-62(56)69/h1-44H
InChIKeyDQIVMOZAPNSWPC-UHFFFAOYSA-N
XLogP17.78
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.11
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
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
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
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-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
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-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine (CID 172537557) is N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is DQIVMOZAPNSWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-3-15-49(16-4-1)67(53-39-41-65-59(43-53)57-21-9-13-25-63(57)68(65)50-17-5-2-6-18-50)54-40-42-66-60(44-54)58-22-10-14-26-64(58)70(66)52-37-33-48(34-38-52)46-29-27-45(28-30-46)47-31-35-51(36-32-47)69-61-23-11-7-19-55(61)56-20-8-12-24-62(56)69/h1-44H.
What are the key properties of N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine?
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 893.11 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 172537557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).