N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine

C54H34N2OS — CID 168814711

IUPACN-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine

SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)c4cccc5c4oc4ccccc45)cc32)cc1

InChIInChI=1S/C54H34N2OS/c1-2-16-39(17-3-1)56-48-23-7-4-19-42(48)43-29-28-41(34-50(43)56)55(49-24-12-22-46-44-20-5-8-25-51(44)57-54(46)49)40-18-11-15-37(32-40)35-13-10-14-36(31-35)38-27-30-53-47(33-38)45-21-6-9-26-52(45)58-53/h1-34H

InChIKeyJJUYJXMYXSQBAU-UHFFFAOYSA-N

MW758.95 g/mol

LogP15.85

Rot. Bonds6

About N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine

N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine (PubChem CID 168814711) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine.

Molecular Properties

Compound Name	N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
PubChem CID	168814711
Molecular Formula	C54H34N2OS
Molecular Weight	758.95 g/mol
Exact Mass	758.24
IUPAC Name	N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
SMILES	c1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)c4cccc5c4oc4ccccc45)cc32)cc1
InChI	InChI=1S/C54H34N2OS/c1-2-16-39(17-3-1)56-48-23-7-4-19-42(48)43-29-28-41(34-50(43)56)55(49-24-12-22-46-44-20-5-8-25-51(44)57-54(46)49)40-18-11-15-37(32-40)35-13-10-14-36(31-35)38-27-30-53-47(33-38)45-21-6-9-26-52(45)58-53/h1-34H
InChIKey	JJUYJXMYXSQBAU-UHFFFAOYSA-N
XLogP	15.85
TPSA	21.31 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	58
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.95
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine?

The IUPAC name of N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine (CID 168814711) is N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine?

The canonical SMILES for N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)c4cccc5c4oc4ccccc45)cc32)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine?

The InChIKey is JJUYJXMYXSQBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-16-39(17-3-1)56-48-23-7-4-19-42(48)43-29-28-41(34-50(43)56)55(49-24-12-22-46-44-20-5-8-25-51(44)57-54(46)49)40-18-11-15-37(32-40)35-13-10-14-36(31-35)38-27-30-53-47(33-38)45-21-6-9-26-52(45)58-53/h1-34H.

What are the key properties of N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine?

N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168814711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).