N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine

C72H51N3O — CID 58510753

About N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine (PubChem CID 58510753) has the molecular formula C72H51N3O and a molecular weight of 974.22 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine.

Molecular Properties

• Compound Name: N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
• PubChem CID: 58510753
• Molecular Formula: C72H51N3O
• Molecular Weight: 974.22 g/mol
• Exact Mass: 973.40
• IUPAC Name: N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)c3ccccc3n5-c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C72H51N3O/c1-71(2)61-39-48(31-35-51(61)52-36-33-50(41-62(52)71)75-65-22-12-8-18-54(65)55-19-9-13-23-66(55)75)73(47-29-26-44(27-30-47)45-28-34-58-57-21-11-15-25-69(57)76-70(58)38-45)49-32-37-53-59-42-60-56-20-10-14-24-67(56)74(46-16-6-5-7-17-46)68(60)43-64(59)72(3,4)63(53)40-49/h5-43H,1-4H3
• InChIKey: RDVBHCREPDAUAF-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.22
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?

The IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine (CID 58510753) is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine.

What is the SMILES notation for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?

The canonical SMILES for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)c3ccccc3n5-c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?

The InChIKey is RDVBHCREPDAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N3O/c1-71(2)61-39-48(31-35-51(61)52-36-33-50(41-62(52)71)75-65-22-12-8-18-54(65)55-19-9-13-23-66(55)75)73(47-29-26-44(27-30-47)45-28-34-58-57-21-11-15-25-69(57)76-70(58)38-45)49-32-37-53-59-42-60-56-20-10-14-24-67(56)74(46-16-6-5-7-17-46)68(60)43-64(59)72(3,4)63(53)40-49/h5-43H,1-4H3.

What are the key properties of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine has a molecular weight of 974.22 g/mol, XLogP of 19.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine is sourced from PubChem (CID 58510753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).