5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole

C54H36N2 — CID 122598848

IUPAC5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c45)c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-3-13-37(14-4-1)39-25-29-41(30-26-39)43-17-11-19-45(35-43)55-51-24-10-8-22-49(51)53-52(55)34-33-48-47-21-7-9-23-50(47)56(54(48)53)46-20-12-18-44(36-46)42-31-27-40(28-32-42)38-15-5-2-6-16-38/h1-36H
InChIKeyFEBFPNPHWINWFZ-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole

5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 122598848) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID122598848
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c45)c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-3-13-37(14-4-1)39-25-29-41(30-26-39)43-17-11-19-45(35-43)55-51-24-10-8-22-49(51)53-52(55)34-33-48-47-21-7-9-23-50(47)56(54(48)53)46-20-12-18-44(36-46)42-31-27-40(28-32-42)38-15-5-2-6-16-38/h1-36H
InChIKeyFEBFPNPHWINWFZ-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole (CID 122598848) is 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c45)c3)cc2)cc1.
What is the InChIKey of 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is FEBFPNPHWINWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-13-37(14-4-1)39-25-29-41(30-26-39)43-17-11-19-45(35-43)55-51-24-10-8-22-49(51)53-52(55)34-33-48-47-21-7-9-23-50(47)56(54(48)53)46-20-12-18-44(36-46)42-31-27-40(28-32-42)38-15-5-2-6-16-38/h1-36H.
What are the key properties of 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 122598848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).