N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine

C54H34N2S — CID 174307395

IUPACN-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc4ccccc4c2n3-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H34N2S/c1-3-16-35(17-4-1)36-30-31-47-46(32-36)52-50(55(39-20-5-2-6-21-39)48-28-15-27-45-44-26-13-14-29-51(44)57-54(45)48)34-38-19-8-10-23-41(38)53(52)56(47)49-33-37-18-7-9-22-40(37)42-24-11-12-25-43(42)49/h1-34H
InChIKeyOWDZJAILPYDSIH-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine

N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine (PubChem CID 174307395) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
PubChem CID174307395
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC NameN-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc4ccccc4c2n3-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H34N2S/c1-3-16-35(17-4-1)36-30-31-47-46(32-36)52-50(55(39-20-5-2-6-21-39)48-28-15-27-45-44-26-13-14-29-51(44)57-54(45)48)34-38-19-8-10-23-41(38)53(52)56(47)49-33-37-18-7-9-22-40(37)42-24-11-12-25-43(42)49/h1-34H
InChIKeyOWDZJAILPYDSIH-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
CID 174307393
N-phenanthren-9-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781823
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
N-(4-phenanthren-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine
CID 142614490
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-dibenzothiophen-4-yl-N-[4-[4-[di(dibenzothiophen-4-yl)amino]phenyl]phenyl]dibenzothiophen-4-amine;N-[4-[4-[dibenzothiophen-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine;N-[4-[4-[dibenzothiophen-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-4-amine;N-[4-[4-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzothiophen-2-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158061684
N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine
CID 140711508
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167235763
4-[9-phenanthren-9-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 142424808

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
The IUPAC name of N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine (CID 174307395) is N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine is c1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc4ccccc4c2n3-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
The InChIKey is OWDZJAILPYDSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-16-35(17-4-1)36-30-31-47-46(32-36)52-50(55(39-20-5-2-6-21-39)48-28-15-27-45-44-26-13-14-29-51(44)57-54(45)48)34-38-19-8-10-23-41(38)53(52)56(47)49-33-37-18-7-9-22-40(37)42-24-11-12-25-43(42)49/h1-34H.
What are the key properties of N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine has a molecular weight of 742.95 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174307395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).