N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine

C37H26N2OS — CID 90377539

IUPACN-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine
SMILESCOc1cccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cccc32)c1
InChIInChI=1S/C37H26N2OS/c1-40-28-14-9-13-26(23-28)39-32-17-7-5-16-30(32)37-33(18-10-19-34(37)39)38(25-11-3-2-4-12-25)27-21-22-36-31(24-27)29-15-6-8-20-35(29)41-36/h2-24H,1H3
InChIKeyGVEBUOVZXBJMFU-UHFFFAOYSA-N
MW546.70 g/mol
LogP10.63
Rot. Bonds5

About N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine

N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine (PubChem CID 90377539) has the molecular formula C37H26N2OS and a molecular weight of 546.70 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine
PubChem CID90377539
Molecular FormulaC37H26N2OS
Molecular Weight546.70 g/mol
Exact Mass546.18
IUPAC NameN-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine
SMILESCOc1cccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cccc32)c1
InChIInChI=1S/C37H26N2OS/c1-40-28-14-9-13-26(23-28)39-32-17-7-5-16-30(32)37-33(18-10-19-34(37)39)38(25-11-3-2-4-12-25)27-21-22-36-31(24-27)29-15-6-8-20-35(29)41-36/h2-24H,1H3
InChIKeyGVEBUOVZXBJMFU-UHFFFAOYSA-N
XLogP10.63
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.70
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine (CID 90377539) is N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine is COc1cccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cccc32)c1.
What is the InChIKey of N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine?
The InChIKey is GVEBUOVZXBJMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2OS/c1-40-28-14-9-13-26(23-28)39-32-17-7-5-16-30(32)37-33(18-10-19-34(37)39)38(25-11-3-2-4-12-25)27-21-22-36-31(24-27)29-15-6-8-20-35(29)41-36/h2-24H,1H3.
What are the key properties of N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine?
N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine has a molecular weight of 546.70 g/mol, XLogP of 10.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9-(3-methoxyphenyl)-N-phenylcarbazol-4-amine is sourced from PubChem (CID 90377539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).