N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine

C46H32N2S — CID 175613411

IUPACN-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
SMILESC1=Cc2sc3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c5c4)ccc3c2CC1
InChIInChI=1S/C46H32N2S/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-40-39-19-8-10-21-44(39)49-45(40)30-37)36-24-22-32-23-26-41-38-18-7-9-20-43(38)48(46(41)42(32)29-36)34-15-5-2-6-16-34/h1-7,9-18,20-30H,8,19H2
InChIKeyRMHDCFRGGZXKGH-UHFFFAOYSA-N
MW644.84 g/mol
LogP13.25
Rot. Bonds5

About N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine

N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine (PubChem CID 175613411) has the molecular formula C46H32N2S and a molecular weight of 644.84 g/mol. Its IUPAC name is N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine.

Molecular Properties

Compound NameN-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
PubChem CID175613411
Molecular FormulaC46H32N2S
Molecular Weight644.84 g/mol
Exact Mass644.23
IUPAC NameN-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
SMILESC1=Cc2sc3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c5c4)ccc3c2CC1
InChIInChI=1S/C46H32N2S/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-40-39-19-8-10-21-44(39)49-45(40)30-37)36-24-22-32-23-26-41-38-18-7-9-20-43(38)48(46(41)42(32)29-36)34-15-5-2-6-16-34/h1-7,9-18,20-30H,8,19H2
InChIKeyRMHDCFRGGZXKGH-UHFFFAOYSA-N
XLogP13.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.84
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenanthren-3-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-8,9-dihydrodibenzothiophen-3-amine
CID 142614622
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847901
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(11-phenyl-1,2-dihydrobenzo[a]carbazol-6-yl)aniline
CID 166660188
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847815
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
CID 126718198
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
CID 126718544
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167

Frequently Asked Questions

What is the IUPAC name of N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The IUPAC name of N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine (CID 175613411) is N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine.
What is the SMILES notation for N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The canonical SMILES for N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine is C1=Cc2sc3cc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c5c4)ccc3c2CC1.
What is the InChIKey of N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
The InChIKey is RMHDCFRGGZXKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2S/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-40-39-19-8-10-21-44(39)49-45(40)30-37)36-24-22-32-23-26-41-38-18-7-9-20-43(38)48(46(41)42(32)29-36)34-15-5-2-6-16-34/h1-7,9-18,20-30H,8,19H2.
What are the key properties of N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine?
N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine has a molecular weight of 644.84 g/mol, XLogP of 13.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dihydrodibenzothiophen-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine is sourced from PubChem (CID 175613411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).