7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole

C54H42N4 — CID 129209201

IUPAC7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole
SMILESC1=CCC(n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(N6c7c(ccc8c7c7ccccc7n8-c7ccccc7)[C@H]7CCCCC76)c5)c4cc32)C=C1
InChIInChI=1S/C54H42N4/c1-3-16-35(17-4-1)55-49-29-14-10-25-43(49)53-50(55)31-30-42-39-22-7-13-28-48(39)58(54(42)53)38-21-15-20-37(32-38)57-47-27-12-9-24-41(47)45-33-44-40-23-8-11-26-46(40)56(51(44)34-52(45)57)36-18-5-2-6-19-36/h1-6,8-12,14-18,20-21,23-27,29-34,36,39,48H,7,13,19,22,28H2/t36?,39-,48?/m1/s1
InChIKeyMCNVVZOTGYRIGL-UYCIIDDDSA-N
MW746.96 g/mol
LogP14.22
Rot. Bonds4

About 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole

7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole (PubChem CID 129209201) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole
PubChem CID129209201
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole
SMILESC1=CCC(n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(N6c7c(ccc8c7c7ccccc7n8-c7ccccc7)[C@H]7CCCCC76)c5)c4cc32)C=C1
InChIInChI=1S/C54H42N4/c1-3-16-35(17-4-1)55-49-29-14-10-25-43(49)53-50(55)31-30-42-39-22-7-13-28-48(39)58(54(42)53)38-21-15-20-37(32-38)57-47-27-12-9-24-41(47)45-33-44-40-23-8-11-26-46(40)56(51(44)34-52(45)57)36-18-5-2-6-19-36/h1-6,8-12,14-18,20-21,23-27,29-34,36,39,48H,7,13,19,22,28H2/t36?,39-,48?/m1/s1
InChIKeyMCNVVZOTGYRIGL-UYCIIDDDSA-N
XLogP14.22
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole?
The IUPAC name of 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole (CID 129209201) is 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole?
The canonical SMILES for 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole is C1=CCC(n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(N6c7c(ccc8c7c7ccccc7n8-c7ccccc7)[C@H]7CCCCC76)c5)c4cc32)C=C1.
What is the InChIKey of 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole?
The InChIKey is MCNVVZOTGYRIGL-UYCIIDDDSA-N. The full InChI is InChI=1S/C54H42N4/c1-3-16-35(17-4-1)55-49-29-14-10-25-43(49)53-50(55)31-30-42-39-22-7-13-28-48(39)58(54(42)53)38-21-15-20-37(32-38)57-47-27-12-9-24-41(47)45-33-44-40-23-8-11-26-46(40)56(51(44)34-52(45)57)36-18-5-2-6-19-36/h1-6,8-12,14-18,20-21,23-27,29-34,36,39,48H,7,13,19,22,28H2/t36?,39-,48?/m1/s1.
What are the key properties of 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole?
7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole has a molecular weight of 746.96 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(7bR)-5-phenyl-7b,8,9,10,11,11a-hexahydroindolo[3,2-c]carbazol-12-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 129209201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).