N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C73H50N4 — CID 90195094

About N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 90195094) has the molecular formula C73H50N4 and a molecular weight of 983.23 g/mol. Its IUPAC name is N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 90195094
• Molecular Formula: C73H50N4
• Molecular Weight: 983.23 g/mol
• Exact Mass: 982.40
• IUPAC Name: N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: Cc1ccncc1-n1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
• InChI: InChI=1S/C73H50N4/c1-49-42-43-74-48-72(49)77-69-41-34-53(44-63(69)65-47-70-64(46-71(65)77)62-27-15-17-29-68(62)76(70)56-24-12-5-13-25-56)52-32-37-58(38-33-52)75(57-35-30-51(31-36-57)50-18-6-2-7-19-50)59-39-40-61-60-26-14-16-28-66(60)73(67(61)45-59,54-20-8-3-9-21-54)55-22-10-4-11-23-55/h2-48H,1H3
• InChIKey: GQTFRCODZGEGNF-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 25.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.23
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 90195094) is N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1ccncc1-n1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.

What is the InChIKey of N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is GQTFRCODZGEGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N4/c1-49-42-43-74-48-72(49)77-69-41-34-53(44-63(69)65-47-70-64(46-71(65)77)62-27-15-17-29-68(62)76(70)56-24-12-5-13-25-56)52-32-37-58(38-33-52)75(57-35-30-51(31-36-57)50-18-6-2-7-19-50)59-39-40-61-60-26-14-16-28-66(60)73(67(61)45-59,54-20-8-3-9-21-54)55-22-10-4-11-23-55/h2-48H,1H3.

What are the key properties of N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 983.23 g/mol, XLogP of 18.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).