N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine

C48H33N3 — CID 155004275

IUPACN-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C48H33N3/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)51-42-25-12-10-22-39(42)40-24-14-29-46(48(40)51)50(37-20-8-3-9-21-37)45-28-15-27-44-47(45)41-23-11-13-26-43(41)49(44)36-18-6-2-7-19-36/h1-33H
InChIKeyUUFHQTZGVJRUGB-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.02
Rot. Bonds6

About N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine

N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine (PubChem CID 155004275) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
PubChem CID155004275
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC NameN-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C48H33N3/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)51-42-25-12-10-22-39(42)40-24-14-29-46(48(40)51)50(37-20-8-3-9-21-37)45-28-15-27-44-47(45)41-23-11-13-26-43(41)49(44)36-18-6-2-7-19-36/h1-33H
InChIKeyUUFHQTZGVJRUGB-UHFFFAOYSA-N
XLogP13.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
CID 138549138
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
CID 118410903
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
CID 155305653
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
CID 138549107

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine (CID 155004275) is N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is UUFHQTZGVJRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-4-16-34(17-5-1)35-30-32-38(33-31-35)51-42-25-12-10-22-39(42)40-24-14-29-46(48(40)51)50(37-20-8-3-9-21-37)45-28-15-27-44-47(45)41-23-11-13-26-43(41)49(44)36-18-6-2-7-19-36/h1-33H.
What are the key properties of N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine?
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine has a molecular weight of 651.81 g/mol, XLogP of 13.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 155004275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).