N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine

C48H31N3S — CID 170286393

IUPACN-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc5sc6ccccc6c45)c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C48H31N3S/c1-3-15-32(16-4-1)49-40-23-11-8-20-37(40)47-41(49)24-13-25-42(47)51(43-26-14-28-46-48(43)38-21-9-12-27-45(38)52-46)34-29-30-36-35-19-7-10-22-39(35)50(44(36)31-34)33-17-5-2-6-18-33/h1-31H
InChIKeyOXYQKHVXSIKCPL-UHFFFAOYSA-N
MW681.86 g/mol
LogP13.72
Rot. Bonds5

About N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine

N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (PubChem CID 170286393) has the molecular formula C48H31N3S and a molecular weight of 681.86 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
PubChem CID170286393
Molecular FormulaC48H31N3S
Molecular Weight681.86 g/mol
Exact Mass681.22
IUPAC NameN-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc5sc6ccccc6c45)c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C48H31N3S/c1-3-15-32(16-4-1)49-40-23-11-8-20-37(40)47-41(49)24-13-25-42(47)51(43-26-14-28-46-48(43)38-21-9-12-27-45(38)52-46)34-29-30-36-35-19-7-10-22-39(35)50(44(36)31-34)33-17-5-2-6-18-33/h1-31H
InChIKeyOXYQKHVXSIKCPL-UHFFFAOYSA-N
XLogP13.72
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-chrysen-5-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-2-amine
CID 170139006
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-dibenzothiophen-1-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357300
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
4-N-naphtho[2,1-b][1]benzothiol-11-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165032934
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (CID 170286393) is N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4cccc5sc6ccccc6c45)c4cccc5c4c4ccccc4n5-c4ccccc4)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The InChIKey is OXYQKHVXSIKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3S/c1-3-15-32(16-4-1)49-40-23-11-8-20-37(40)47-41(49)24-13-25-42(47)51(43-26-14-28-46-48(43)38-21-9-12-27-45(38)52-46)34-29-30-36-35-19-7-10-22-39(35)50(44(36)31-34)33-17-5-2-6-18-33/h1-31H.
What are the key properties of N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine has a molecular weight of 681.86 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is sourced from PubChem (CID 170286393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).