N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine

C54H34N2S — CID 174307393

IUPACN-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc4ccccc4c2n3-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H34N2S/c1-3-15-35(16-4-1)36-27-30-48-47(31-36)53-50(55(39-19-5-2-6-20-39)40-28-29-46-45-25-13-14-26-51(45)57-52(46)34-40)33-38-18-8-10-22-42(38)54(53)56(48)49-32-37-17-7-9-21-41(37)43-23-11-12-24-44(43)49/h1-34H
InChIKeyNWYIPEOHLZRRDO-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine

N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine (PubChem CID 174307393) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
PubChem CID174307393
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC NameN-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc4ccccc4c2n3-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H34N2S/c1-3-15-35(16-4-1)36-27-30-48-47(31-36)53-50(55(39-19-5-2-6-20-39)40-28-29-46-45-25-13-14-26-51(45)57-52(46)34-40)33-38-18-8-10-22-42(38)54(53)56(48)49-32-37-17-7-9-21-41(37)43-23-11-12-24-44(43)49/h1-34H
InChIKeyNWYIPEOHLZRRDO-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-4-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine
CID 174307395
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740
N-(7-phenylphenanthren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164747989
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307742
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
4-[9-phenanthren-9-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 142424808
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
CID 163769563
3-N-dibenzothiophen-2-yl-3-N-[3-[9-phenanthren-9-yl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 147950508
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
The IUPAC name of N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine (CID 174307393) is N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine is c1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc4ccccc4c2n3-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
The InChIKey is NWYIPEOHLZRRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-15-35(16-4-1)36-27-30-48-47(31-36)53-50(55(39-19-5-2-6-20-39)40-28-29-46-45-25-13-14-26-51(45)57-52(46)34-40)33-38-18-8-10-22-42(38)54(53)56(48)49-32-37-17-7-9-21-41(37)43-23-11-12-24-44(43)49/h1-34H.
What are the key properties of N-dibenzothiophen-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine?
N-dibenzothiophen-3-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-3-yl-11-phenanthren-9-yl-N,8-diphenylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174307393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).