5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole

C54H36N4 — CID 134240198

IUPAC5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
SMILESC1=Cc2c(c3ccc4c(c5ccccc5n4-c4ccccc4)c3n2-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)CC1
InChIInChI=1S/C54H36N4/c1-3-16-35(17-4-1)55-47-28-13-9-24-43(47)51-49(55)32-30-41-39-22-7-11-26-45(39)57(53(41)51)37-20-15-21-38(34-37)58-46-27-12-8-23-40(46)42-31-33-50-52(54(42)58)44-25-10-14-29-48(44)56(50)36-18-5-2-6-19-36/h1-7,9-22,24-34H,8,23H2
InChIKeyMINRYZWNWNSQAH-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.88
Rot. Bonds4

About 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole

5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 134240198) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
PubChem CID134240198
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
SMILESC1=Cc2c(c3ccc4c(c5ccccc5n4-c4ccccc4)c3n2-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)CC1
InChIInChI=1S/C54H36N4/c1-3-16-35(17-4-1)55-47-28-13-9-24-43(47)51-49(55)32-30-41-39-22-7-11-26-45(39)57(53(41)51)37-20-15-21-38(34-37)58-46-27-12-8-23-40(46)42-31-33-50-52(54(42)58)44-25-10-14-29-48(44)56(50)36-18-5-2-6-19-36/h1-7,9-22,24-34H,8,23H2
InChIKeyMINRYZWNWNSQAH-UHFFFAOYSA-N
XLogP13.88
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole (CID 134240198) is 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole is C1=Cc2c(c3ccc4c(c5ccccc5n4-c4ccccc4)c3n2-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)CC1.
What is the InChIKey of 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is MINRYZWNWNSQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-16-35(17-4-1)55-47-28-13-9-24-43(47)51-49(55)32-30-41-39-22-7-11-26-45(39)57(53(41)51)37-20-15-21-38(34-37)58-46-27-12-8-23-40(46)42-31-33-50-52(54(42)58)44-25-10-14-29-48(44)56(50)36-18-5-2-6-19-36/h1-7,9-22,24-34H,8,23H2.
What are the key properties of 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole?
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 740.91 g/mol, XLogP of 13.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 134240198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).