N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline

C48H33N3 — CID 90296019

IUPACN,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C48H33N3/c1-2-12-36(13-3-1)49(38-30-32-40(33-31-38)51-47-20-10-6-16-43(47)44-17-7-11-21-48(44)51)37-26-22-34(23-27-37)35-24-28-39(29-25-35)50-45-18-8-4-14-41(45)42-15-5-9-19-46(42)50/h1-33H
InChIKeyOVJOCZWBYMMYDZ-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.02
Rot. Bonds6

About N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline

N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline (PubChem CID 90296019) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
PubChem CID90296019
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC NameN,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C48H33N3/c1-2-12-36(13-3-1)49(38-30-32-40(33-31-38)51-47-20-10-6-16-43(47)44-17-7-11-21-48(44)51)37-26-22-34(23-27-37)35-24-28-39(29-25-35)50-45-18-8-4-14-41(45)42-15-5-9-19-46(42)50/h1-33H
InChIKeyOVJOCZWBYMMYDZ-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

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
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-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline?
The IUPAC name of N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline (CID 90296019) is N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline?
The InChIKey is OVJOCZWBYMMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-2-12-36(13-3-1)49(38-30-32-40(33-31-38)51-47-20-10-6-16-43(47)44-17-7-11-21-48(44)51)37-26-22-34(23-27-37)35-24-28-39(29-25-35)50-45-18-8-4-14-41(45)42-15-5-9-19-46(42)50/h1-33H.
What are the key properties of N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline?
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline 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,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 90296019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).