N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C78H52N4 — CID 89213030

IUPACN-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C78H52N4/c1-4-16-61(17-5-1)80-74-26-14-11-23-68(74)71-50-58(39-48-76(71)80)55-30-28-53(29-31-55)54-32-41-64(42-33-54)79(65-43-34-56(35-44-65)59-40-49-77-72(51-59)69-24-12-15-27-75(69)81(77)62-18-6-2-7-19-62)66-45-36-57(37-46-66)60-38-47-70-67-22-10-13-25-73(67)82(78(70)52-60)63-20-8-3-9-21-63/h1-52H
InChIKeyILFKLSDJWLYBJE-UHFFFAOYSA-N
MW1045.30 g/mol
LogP21.12
Rot. Bonds10

About N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 89213030) has the molecular formula C78H52N4 and a molecular weight of 1045.30 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID89213030
Molecular FormulaC78H52N4
Molecular Weight1045.30 g/mol
Exact Mass1044.42
IUPAC NameN-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C78H52N4/c1-4-16-61(17-5-1)80-74-26-14-11-23-68(74)71-50-58(39-48-76(71)80)55-30-28-53(29-31-55)54-32-41-64(42-33-54)79(65-43-34-56(35-44-65)59-40-49-77-72(51-59)69-24-12-15-27-75(69)81(77)62-18-6-2-7-19-62)66-45-36-57(37-46-66)60-38-47-70-67-22-10-13-25-73(67)82(78(70)52-60)63-20-8-3-9-21-63/h1-52H
InChIKeyILFKLSDJWLYBJE-UHFFFAOYSA-N
XLogP21.12
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.30
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 89213030) is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is ILFKLSDJWLYBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N4/c1-4-16-61(17-5-1)80-74-26-14-11-23-68(74)71-50-58(39-48-76(71)80)55-30-28-53(29-31-55)54-32-41-64(42-33-54)79(65-43-34-56(35-44-65)59-40-49-77-72(51-59)69-24-12-15-27-75(69)81(77)62-18-6-2-7-19-62)66-45-36-57(37-46-66)60-38-47-70-67-22-10-13-25-73(67)82(78(70)52-60)63-20-8-3-9-21-63/h1-52H.
What are the key properties of N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 1045.30 g/mol, XLogP of 21.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 89213030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).