4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C64H40N2OS — CID 176607823

IUPAC4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C64H40N2OS/c1-2-19-47-41(15-1)16-14-25-48(47)43-17-13-18-46(39-43)66(56-26-8-3-20-49(56)44-33-38-62-55(40-44)53-23-7-12-30-61(53)68-62)59-37-36-50(64-63(59)54-24-6-11-29-60(54)67-64)42-31-34-45(35-32-42)65-57-27-9-4-21-51(57)52-22-5-10-28-58(52)65/h1-40H
InChIKeyODAPBRCZNQOFCK-UHFFFAOYSA-N
MW885.10 g/mol
LogP18.67
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine

4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 176607823) has the molecular formula C64H40N2OS and a molecular weight of 885.10 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID176607823
Molecular FormulaC64H40N2OS
Molecular Weight885.10 g/mol
Exact Mass884.29
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C64H40N2OS/c1-2-19-47-41(15-1)16-14-25-48(47)43-17-13-18-46(39-43)66(56-26-8-3-20-49(56)44-33-38-62-55(40-44)53-23-7-12-30-61(53)68-62)59-37-36-50(64-63(59)54-24-6-11-29-60(54)67-64)42-31-34-45(35-32-42)65-57-27-9-4-21-51(57)52-22-5-10-28-58(52)65/h1-40H
InChIKeyODAPBRCZNQOFCK-UHFFFAOYSA-N
XLogP18.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.10
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608292
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 167326462
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398470
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176608048
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 176607823) is 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is ODAPBRCZNQOFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2OS/c1-2-19-47-41(15-1)16-14-25-48(47)43-17-13-18-46(39-43)66(56-26-8-3-20-49(56)44-33-38-62-55(40-44)53-23-7-12-30-61(53)68-62)59-37-36-50(64-63(59)54-24-6-11-29-60(54)67-64)42-31-34-45(35-32-42)65-57-27-9-4-21-51(57)52-22-5-10-28-58(52)65/h1-40H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 885.10 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176607823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).