N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine

C46H28N2S2 — CID 167038184

IUPACN-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H28N2S2/c1-2-10-34-29(9-1)17-24-41-46(34)37-13-3-6-14-40(37)48(41)31-20-18-30(19-21-31)47(32-22-25-44-38(27-32)35-11-4-7-15-42(35)49-44)33-23-26-45-39(28-33)36-12-5-8-16-43(36)50-45/h1-28H
InChIKeyVYSFWXMTZZZXND-UHFFFAOYSA-N
MW672.88 g/mol
LogP14.14
Rot. Bonds4

About N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine

N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine (PubChem CID 167038184) has the molecular formula C46H28N2S2 and a molecular weight of 672.88 g/mol. Its IUPAC name is N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
PubChem CID167038184
Molecular FormulaC46H28N2S2
Molecular Weight672.88 g/mol
Exact Mass672.17
IUPAC NameN-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H28N2S2/c1-2-10-34-29(9-1)17-24-41-46(34)37-13-3-6-14-40(37)48(41)31-20-18-30(19-21-31)47(32-22-25-44-38(27-32)35-11-4-7-15-42(35)49-44)33-23-26-45-39(28-33)36-12-5-8-16-43(36)50-45/h1-28H
InChIKeyVYSFWXMTZZZXND-UHFFFAOYSA-N
XLogP14.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
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CID 166847666
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
CID 163616554
N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 165009845
N-naphthalen-2-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]dibenzothiophen-2-amine
CID 163874479
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
CID 58501326
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine (CID 167038184) is N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine is c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine?
The InChIKey is VYSFWXMTZZZXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S2/c1-2-10-34-29(9-1)17-24-41-46(34)37-13-3-6-14-40(37)48(41)31-20-18-30(19-21-31)47(32-22-25-44-38(27-32)35-11-4-7-15-42(35)49-44)33-23-26-45-39(28-33)36-12-5-8-16-43(36)50-45/h1-28H.
What are the key properties of N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine?
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine has a molecular weight of 672.88 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 167038184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).