6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine

C42H30N2S — CID 90377526

IUPAC6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine
SMILESC1=CC(c2ccc3c(c2)c2c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cccc2n3-c2ccccc2)=CCC1
InChIInChI=1S/C42H30N2S/c1-4-13-29(14-5-1)30-23-25-37-36(27-30)42-38(20-12-21-39(42)44(37)32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)33-24-26-41-35(28-33)34-19-10-11-22-40(34)45-41/h2-4,6-28H,1,5H2
InChIKeyLVFPWPRDFJZPKQ-UHFFFAOYSA-N
MW594.78 g/mol
LogP12.35
Rot. Bonds5

About 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine

6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine (PubChem CID 90377526) has the molecular formula C42H30N2S and a molecular weight of 594.78 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine
PubChem CID90377526
Molecular FormulaC42H30N2S
Molecular Weight594.78 g/mol
Exact Mass594.21
IUPAC Name6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine
SMILESC1=CC(c2ccc3c(c2)c2c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cccc2n3-c2ccccc2)=CCC1
InChIInChI=1S/C42H30N2S/c1-4-13-29(14-5-1)30-23-25-37-36(27-30)42-38(20-12-21-39(42)44(37)32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)33-24-26-41-35(28-33)34-19-10-11-22-40(34)45-41/h2-4,6-28H,1,5H2
InChIKeyLVFPWPRDFJZPKQ-UHFFFAOYSA-N
XLogP12.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.78
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine
CID 146367309
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
3-cyclohexa-1,5-dien-1-yl-9-dibenzothiophen-1-ylcarbazole
CID 129111753
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-2-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-4-yl)phenyl]-N,4-diphenylaniline;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine;N,5,6-triphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-4-amine
CID 161297522
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine (CID 90377526) is 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine is C1=CC(c2ccc3c(c2)c2c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cccc2n3-c2ccccc2)=CCC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine?
The InChIKey is LVFPWPRDFJZPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2S/c1-4-13-29(14-5-1)30-23-25-37-36(27-30)42-38(20-12-21-39(42)44(37)32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)33-24-26-41-35(28-33)34-19-10-11-22-40(34)45-41/h2-4,6-28H,1,5H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine?
6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine has a molecular weight of 594.78 g/mol, XLogP of 12.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine is sourced from PubChem (CID 90377526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).