N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine

C42H27BrN2S — CID 126702316

IUPACN-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27BrN2S/c43-30-19-15-28(16-20-30)29-17-21-33(22-18-29)44(31-9-3-1-4-10-31)34-23-25-38-37(27-34)41-39(45(38)32-11-5-2-6-12-32)26-24-36-35-13-7-8-14-40(35)46-42(36)41/h1-27H
InChIKeyLRHVRTCZKRNCSF-UHFFFAOYSA-N
MW671.66 g/mol
LogP13.05
Rot. Bonds5

About N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine

N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine (PubChem CID 126702316) has the molecular formula C42H27BrN2S and a molecular weight of 671.66 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
PubChem CID126702316
Molecular FormulaC42H27BrN2S
Molecular Weight671.66 g/mol
Exact Mass670.11
IUPAC NameN-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27BrN2S/c43-30-19-15-28(16-20-30)29-17-21-33(22-18-29)44(31-9-3-1-4-10-31)34-23-25-38-37(27-34)41-39(45(38)32-11-5-2-6-12-32)26-24-36-35-13-7-8-14-40(35)46-42(36)41/h1-27H
InChIKeyLRHVRTCZKRNCSF-UHFFFAOYSA-N
XLogP13.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.66
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 89448363
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 157380480
10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 88856281
N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 126702091
5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 118011351
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
1-N,3-N-di(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetra(dibenzothiophen-2-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzene-1,3-diamine
CID 159867112
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 160959389
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine (CID 126702316) is N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine is Brc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine?
The InChIKey is LRHVRTCZKRNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27BrN2S/c43-30-19-15-28(16-20-30)29-17-21-33(22-18-29)44(31-9-3-1-4-10-31)34-23-25-38-37(27-34)41-39(45(38)32-11-5-2-6-12-32)26-24-36-35-13-7-8-14-40(35)46-42(36)41/h1-27H.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine?
N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine has a molecular weight of 671.66 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine is sourced from PubChem (CID 126702316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).