N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine

C48H32N2S — CID 129119341

IUPACN-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-22-26-37(27-23-35)49(46-20-11-18-42-41-17-8-10-21-47(41)51-48(42)46)39-30-31-45-43(32-39)40-16-7-9-19-44(40)50(45)38-28-24-36(25-29-38)34-14-5-2-6-15-34/h1-32H
InChIKeyZWFXQNNXYQPYPX-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine

N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine (PubChem CID 129119341) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
PubChem CID129119341
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-22-26-37(27-23-35)49(46-20-11-18-42-41-17-8-10-21-47(41)51-48(42)46)39-30-31-45-43(32-39)40-16-7-9-19-44(40)50(45)38-28-24-36(25-29-38)34-14-5-2-6-15-34/h1-32H
InChIKeyZWFXQNNXYQPYPX-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine
CID 129194653
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
4-N,4-N,10-N,10-N-tetraphenyl-7-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazole-4,10-diamine
CID 118122688
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine (CID 129119341) is N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine?
The InChIKey is ZWFXQNNXYQPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-12-33(13-4-1)35-22-26-37(27-23-35)49(46-20-11-18-42-41-17-8-10-21-47(41)51-48(42)46)39-30-31-45-43(32-39)40-16-7-9-19-44(40)50(45)38-28-24-36(25-29-38)34-14-5-2-6-15-34/h1-32H.
What are the key properties of N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine?
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 129119341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).