N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline

C60H40N4 — CID 71038441

IUPACN,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc32)cc1
InChIInChI=1S/C60H40N4/c1-2-14-43(15-3-1)64-59-25-13-8-20-53(59)54-39-28-42(40-60(54)64)41-26-29-44(30-27-41)61(45-31-35-47(36-32-45)62-55-21-9-4-16-49(55)50-17-5-10-22-56(50)62)46-33-37-48(38-34-46)63-57-23-11-6-18-51(57)52-19-7-12-24-58(52)63/h1-40H
InChIKeyNPYIHMKSVSEQPC-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.11
Rot. Bonds7

About N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline

N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline (PubChem CID 71038441) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
PubChem CID71038441
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC NameN,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc32)cc1
InChIInChI=1S/C60H40N4/c1-2-14-43(15-3-1)64-59-25-13-8-20-53(59)54-39-28-42(40-60(54)64)41-26-29-44(30-27-41)61(45-31-35-47(36-32-45)62-55-21-9-4-16-49(55)50-17-5-10-22-56(50)62)46-33-37-48(38-34-46)63-57-23-11-6-18-51(57)52-19-7-12-24-58(52)63/h1-40H
InChIKeyNPYIHMKSVSEQPC-UHFFFAOYSA-N
XLogP16.11
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline?
The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline (CID 71038441) is N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline.
What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline?
The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc32)cc1.
What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline?
The InChIKey is NPYIHMKSVSEQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-2-14-43(15-3-1)64-59-25-13-8-20-53(59)54-39-28-42(40-60(54)64)41-26-29-44(30-27-41)61(45-31-35-47(36-32-45)62-55-21-9-4-16-49(55)50-17-5-10-22-56(50)62)46-33-37-48(38-34-46)63-57-23-11-6-18-51(57)52-19-7-12-24-58(52)63/h1-40H.
What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline?
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline has a molecular weight of 817.01 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline is sourced from PubChem (CID 71038441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).