N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine

C54H34N2OS — CID 118462722

IUPACN-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine

SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc3sc4ccccc4c3c2)cc1

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

InChIKeyZNVMDCDURSMOOV-UHFFFAOYSA-N

MW758.95 g/mol

LogP15.85

Rot. Bonds6

About N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine

N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine (PubChem CID 118462722) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name	N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
PubChem CID	118462722
Molecular Formula	C54H34N2OS
Molecular Weight	758.95 g/mol
Exact Mass	758.24
IUPAC Name	N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
SMILES	c1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc3sc4ccccc4c3c2)cc1
InChI	InChI=1S/C54H34N2OS/c1-2-15-39(16-3-1)55(41-26-29-54-48(34-41)45-20-6-9-23-53(45)58-54)40-17-11-14-37(31-40)35-12-10-13-36(30-35)38-24-27-50-46(32-38)43-18-4-7-21-49(43)56(50)42-25-28-52-47(33-42)44-19-5-8-22-51(44)57-52/h1-34H
InChIKey	ZNVMDCDURSMOOV-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-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine?

The IUPAC name of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine (CID 118462722) is N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine.

What is the SMILES notation for N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine?

The canonical SMILES for N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc3sc4ccccc4c3c2)cc1.

What is the InChIKey of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine?

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

What are the key properties of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine?

N-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-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-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 118462722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).