5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole

C68H47N5 — CID 129209372

About 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole

5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 129209372) has the molecular formula C68H47N5 and a molecular weight of 934.16 g/mol. Its IUPAC name is 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 129209372
• Molecular Formula: C68H47N5
• Molecular Weight: 934.16 g/mol
• Exact Mass: 933.38
• IUPAC Name: 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole
• SMILES: C=C(C)c1c(/C=C\C)n(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c43)c2)c2ccccc12
• InChI: InChI=1S/C68H47N5/c1-4-20-62-64(43(2)3)55-30-11-16-35-60(55)69(62)45-23-18-25-47(41-45)72-58-33-14-8-27-49(58)52-39-40-63-65(66(52)72)56-31-12-17-36-61(56)70(63)46-24-19-26-48(42-46)73-59-34-15-10-29-51(59)54-38-37-53-50-28-9-13-32-57(50)71(67(53)68(54)73)44-21-6-5-7-22-44/h4-42H,2H2,1,3H3/b20-4-
• InChIKey: JCUUCFWVRMXDLE-YQLNASGTSA-N
• XLogP: 18.09
• TPSA: 24.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.16
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole (CID 129209372) is 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole is C=C(C)c1c(/C=C\C)n(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c43)c2)c2ccccc12.

What is the InChIKey of 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole?

The InChIKey is JCUUCFWVRMXDLE-YQLNASGTSA-N. The full InChI is InChI=1S/C68H47N5/c1-4-20-62-64(43(2)3)55-30-11-16-35-60(55)69(62)45-23-18-25-47(41-45)72-58-33-14-8-27-49(58)52-39-40-63-65(66(52)72)56-31-12-17-36-61(56)70(63)46-24-19-26-48(42-46)73-59-34-15-10-29-51(59)54-38-37-53-50-28-9-13-32-57(50)71(67(53)68(54)73)44-21-6-5-7-22-44/h4-42H,2H2,1,3H3/b20-4-.

What are the key properties of 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole?

5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 934.16 g/mol, XLogP of 18.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-12-[3-[2-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylindol-1-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 129209372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).