7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane

C42H34N2S — CID 145362356

IUPAC7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane
SMILESCC.c1ccc(N(c2ccccc2)C2Cc3c(c4ccccc4n3-c3ccc4c(c3)sc3ccccc34)-c3ccccc32)cc1
InChIInChI=1S/C40H28N2S.C2H6/c1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)36-26-37-40(33-19-8-7-17-30(33)36)34-20-9-11-21-35(34)42(37)29-23-24-32-31-18-10-12-22-38(31)43-39(32)25-29;1-2/h1-25,36H,26H2;1-2H3
InChIKeyRLERZWOXGDTVTO-UHFFFAOYSA-N
MW598.82 g/mol
LogP12.13
Rot. Bonds4

About 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane

7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane (PubChem CID 145362356) has the molecular formula C42H34N2S and a molecular weight of 598.82 g/mol. Its IUPAC name is 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane.

Molecular Properties

Compound Name7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane
PubChem CID145362356
Molecular FormulaC42H34N2S
Molecular Weight598.82 g/mol
Exact Mass598.24
IUPAC Name7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane
SMILESCC.c1ccc(N(c2ccccc2)C2Cc3c(c4ccccc4n3-c3ccc4c(c3)sc3ccccc34)-c3ccccc32)cc1
InChIInChI=1S/C40H28N2S.C2H6/c1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)36-26-37-40(33-19-8-7-17-30(33)36)34-20-9-11-21-35(34)42(37)29-23-24-32-31-18-10-12-22-38(31)43-39(32)25-29;1-2/h1-25,36H,26H2;1-2H3
InChIKeyRLERZWOXGDTVTO-UHFFFAOYSA-N
XLogP12.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.82
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane with MolForge

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Related Compounds

N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
22-dibenzothiophen-3-yl-8-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129310678
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118505838
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
9-dibenzothiophen-3-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501158
9-dibenzothiophen-3-yl-18-(4-iodophenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146775593
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane?
The IUPAC name of 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane (CID 145362356) is 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane.
What is the SMILES notation for 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane?
The canonical SMILES for 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane is CC.c1ccc(N(c2ccccc2)C2Cc3c(c4ccccc4n3-c3ccc4c(c3)sc3ccccc34)-c3ccccc32)cc1.
What is the InChIKey of 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane?
The InChIKey is RLERZWOXGDTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2S.C2H6/c1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)36-26-37-40(33-19-8-7-17-30(33)36)34-20-9-11-21-35(34)42(37)29-23-24-32-31-18-10-12-22-38(31)43-39(32)25-29;1-2/h1-25,36H,26H2;1-2H3.
What are the key properties of 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane?
7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane has a molecular weight of 598.82 g/mol, XLogP of 12.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-3-yl-N,N-diphenyl-5,6-dihydrobenzo[c]carbazol-5-amine;ethane is sourced from PubChem (CID 145362356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).