N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine

C39H26BrNS — CID 144856787

IUPACN-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2sc4ccccc4c2-3)cc1
InChIInChI=1S/C39H26BrNS/c40-29-20-22-31(23-21-29)41(30-16-8-3-9-17-30)32-24-25-33-35(26-32)39(27-12-4-1-5-13-27,28-14-6-2-7-15-28)38-37(33)34-18-10-11-19-36(34)42-38/h1-26H
InChIKeyKGBXCANMCUFUNA-UHFFFAOYSA-N
MW620.62 g/mol
LogP11.50
Rot. Bonds5

About N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine

N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine (PubChem CID 144856787) has the molecular formula C39H26BrNS and a molecular weight of 620.62 g/mol. Its IUPAC name is N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine
PubChem CID144856787
Molecular FormulaC39H26BrNS
Molecular Weight620.62 g/mol
Exact Mass619.10
IUPAC NameN-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2sc4ccccc4c2-3)cc1
InChIInChI=1S/C39H26BrNS/c40-29-20-22-31(23-21-29)41(30-16-8-3-9-17-30)32-24-25-33-35(26-32)39(27-12-4-1-5-13-27,28-14-6-2-7-15-28)38-37(33)34-18-10-11-19-36(34)42-38/h1-26H
InChIKeyKGBXCANMCUFUNA-UHFFFAOYSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.62
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine with MolForge

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Related Compounds

(9S)-2-N-(9,9-diphenylfluoren-2-yl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134533543
8-bromo-6,6-diphenylindeno[2,1-b][1]benzothiole
CID 144856808
1-N,1-N,4-N-triphenyl-4-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylbenzene-1,4-diamine
CID 134551493
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529809
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
8-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529815
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine?
The IUPAC name of N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine (CID 144856787) is N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine.
What is the SMILES notation for N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine?
The canonical SMILES for N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine is Brc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2sc4ccccc4c2-3)cc1.
What is the InChIKey of N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine?
The InChIKey is KGBXCANMCUFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26BrNS/c40-29-20-22-31(23-21-29)41(30-16-8-3-9-17-30)32-24-25-33-35(26-32)39(27-12-4-1-5-13-27,28-14-6-2-7-15-28)38-37(33)34-18-10-11-19-36(34)42-38/h1-26H.
What are the key properties of N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine?
N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine has a molecular weight of 620.62 g/mol, XLogP of 11.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine is sourced from PubChem (CID 144856787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).