N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine

C54H34N2OS — CID 167322717

IUPACN-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C54H34N2OS/c1-2-15-39(40-16-3-8-22-47(40)56-48-23-9-4-17-41(48)42-18-5-10-24-49(42)56)38(14-1)35-28-30-36(31-29-35)55(37-32-33-52-46(34-37)43-19-6-11-26-51(43)57-52)50-25-13-21-45-44-20-7-12-27-53(44)58-54(45)50/h1-34H
InChIKeyDWFUSSHNQREECU-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine (PubChem CID 167322717) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine
PubChem CID167322717
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C54H34N2OS/c1-2-15-39(40-16-3-8-22-47(40)56-48-23-9-4-17-41(48)42-18-5-10-24-49(42)56)38(14-1)35-28-30-36(31-29-35)55(37-32-33-52-46(34-37)43-19-6-11-26-51(43)57-52)50-25-13-21-45-44-20-7-12-27-53(44)58-54(45)50/h1-34H
InChIKeyDWFUSSHNQREECU-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine
CID 167322537
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168788525
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]aniline;N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164988034
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
CID 176609519
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine
CID 165093056
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374694
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
CID 176608288
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine
CID 162010998
N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
CID 122462802

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine?
The IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine (CID 167322717) is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine.
What is the SMILES notation for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine?
The canonical SMILES for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine is c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3ccccc34)cc2)c1.
What is the InChIKey of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine?
The InChIKey is DWFUSSHNQREECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-15-39(40-16-3-8-22-47(40)56-48-23-9-4-17-41(48)42-18-5-10-24-49(42)56)38(14-1)35-28-30-36(31-29-35)55(37-32-33-52-46(34-37)43-19-6-11-26-51(43)57-52)50-25-13-21-45-44-20-7-12-27-53(44)58-54(45)50/h1-34H.
What are the key properties of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine?
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-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-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine is sourced from PubChem (CID 167322717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).