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

C72H48N4 — CID 89213116

IUPACN-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc32)cc1
InChIInChI=1S/C72H48N4/c1-3-15-55(16-4-1)75-69-25-13-9-21-63(69)65-45-35-53(47-71(65)75)51-29-27-49(28-30-51)50-31-37-57(38-32-50)73(59-41-43-60(44-42-59)74-67-23-11-7-19-61(67)62-20-8-12-24-68(62)74)58-39-33-52(34-40-58)54-36-46-66-64-22-10-14-26-70(64)76(72(66)48-54)56-17-5-2-6-18-56/h1-48H
InChIKeySVTGYHBZERTUNV-UHFFFAOYSA-N
MW969.20 g/mol
LogP19.45
Rot. Bonds9

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

N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 89213116) has the molecular formula C72H48N4 and a molecular weight of 969.20 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID89213116
Molecular FormulaC72H48N4
Molecular Weight969.20 g/mol
Exact Mass968.39
IUPAC NameN-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc32)cc1
InChIInChI=1S/C72H48N4/c1-3-15-55(16-4-1)75-69-25-13-9-21-63(69)65-45-35-53(47-71(65)75)51-29-27-49(28-30-51)50-31-37-57(38-32-50)73(59-41-43-60(44-42-59)74-67-23-11-7-19-61(67)62-20-8-12-24-68(62)74)58-39-33-52(34-40-58)54-36-46-66-64-22-10-14-26-70(64)76(72(66)48-54)56-17-5-2-6-18-56/h1-48H
InChIKeySVTGYHBZERTUNV-UHFFFAOYSA-N
XLogP19.45
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.20
LogP ≤ 519.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
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-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 89213116) is N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is SVTGYHBZERTUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4/c1-3-15-55(16-4-1)75-69-25-13-9-21-63(69)65-45-35-53(47-71(65)75)51-29-27-49(28-30-51)50-31-37-57(38-32-50)73(59-41-43-60(44-42-59)74-67-23-11-7-19-61(67)62-20-8-12-24-68(62)74)58-39-33-52(34-40-58)54-36-46-66-64-22-10-14-26-70(64)76(72(66)48-54)56-17-5-2-6-18-56/h1-48H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 969.20 g/mol, XLogP of 19.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 89213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).