4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline

C85H55N7 — CID 118944227

About 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline

4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline (PubChem CID 118944227) has the molecular formula C85H55N7 and a molecular weight of 1174.42 g/mol. Its IUPAC name is 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline
• PubChem CID: 118944227
• Molecular Formula: C85H55N7
• Molecular Weight: 1174.42 g/mol
• Exact Mass: 1173.45
• IUPAC Name: 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline
• SMILES: Cn1c2ccccc2c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)cc4)c3c21
• InChI: InChI=1S/C85H55N7/c1-86-74-30-14-8-24-62(74)68-48-49-69-63-25-9-17-33-77(63)90(81(69)80(68)86)59-42-36-56(37-43-59)87(57-38-44-60(45-39-57)91-78-34-18-12-28-66(78)72-52-50-70-64-26-10-15-31-75(64)88(82(70)84(72)91)54-20-4-2-5-21-54)58-40-46-61(47-41-58)92-79-35-19-13-29-67(79)73-53-51-71-65-27-11-16-32-76(65)89(83(71)85(73)92)55-22-6-3-7-23-55/h2-53H,1H3
• InChIKey: YGBIWTCHYYQJAT-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 32.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1174.42
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline?

The IUPAC name of 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline (CID 118944227) is 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline.

What is the SMILES notation for 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline?

The canonical SMILES for 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline is Cn1c2ccccc2c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)c5ccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)cc4)c3c21.

What is the InChIKey of 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline?

The InChIKey is YGBIWTCHYYQJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H55N7/c1-86-74-30-14-8-24-62(74)68-48-49-69-63-25-9-17-33-77(63)90(81(69)80(68)86)59-42-36-56(37-43-59)87(57-38-44-60(45-39-57)91-78-34-18-12-28-66(78)72-52-50-70-64-26-10-15-31-75(64)88(82(70)84(72)91)54-20-4-2-5-21-54)58-40-46-61(47-41-58)92-79-35-19-13-29-67(79)73-53-51-71-65-27-11-16-32-76(65)89(83(71)85(73)92)55-22-6-3-7-23-55/h2-53H,1H3.

What are the key properties of 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline?

4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline has a molecular weight of 1174.42 g/mol, XLogP of 22.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline is sourced from PubChem (CID 118944227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).