6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine

C54H34N2S — CID 137493834

IUPAC6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C54H34N2S/c1-2-14-40(15-3-1)56-51-29-24-38(39-25-30-54-49(32-39)46-18-8-9-20-53(46)57-54)31-48(51)45-28-27-42(34-52(45)56)55(50-19-10-13-35-11-5-7-17-44(35)50)41-26-23-37-22-21-36-12-4-6-16-43(36)47(37)33-41/h1-34H
InChIKeyDLYVBCIHNNDVLY-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine

6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine (PubChem CID 137493834) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound Name6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
PubChem CID137493834
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C54H34N2S/c1-2-14-40(15-3-1)56-51-29-24-38(39-25-30-54-49(32-39)46-18-8-9-20-53(46)57-54)31-48(51)45-28-27-42(34-52(45)56)55(50-19-10-13-35-11-5-7-17-44(35)50)41-26-23-37-22-21-36-12-4-6-16-43(36)47(37)33-41/h1-34H
InChIKeyDLYVBCIHNNDVLY-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'}

Analyze 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
CID 163689901
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine?
The IUPAC name of 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine (CID 137493834) is 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine?
The InChIKey is DLYVBCIHNNDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-2-14-40(15-3-1)56-51-29-24-38(39-25-30-54-49(32-39)46-18-8-9-20-53(46)57-54)31-48(51)45-28-27-42(34-52(45)56)55(50-19-10-13-35-11-5-7-17-44(35)50)41-26-23-37-22-21-36-12-4-6-16-43(36)47(37)33-41/h1-34H.
What are the key properties of 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine?
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-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 6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 137493834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).