N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine

C65H45N5 — CID 142427212

About N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine

N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine (PubChem CID 142427212) has the molecular formula C65H45N5 and a molecular weight of 896.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
• PubChem CID: 142427212
• Molecular Formula: C65H45N5
• Molecular Weight: 896.11 g/mol
• Exact Mass: 895.37
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cccc21
• InChI: InChI=1S/C65H45N5/c1-65(2)54-26-13-9-24-50(54)62-55(65)27-17-31-61(62)69(47-36-32-43(33-37-47)42-18-5-3-6-19-42)63-51-25-10-14-28-56(51)66-64(67-63)70-58-30-16-12-23-49(58)53-41-45(35-39-60(53)70)44-34-38-59-52(40-44)48-22-11-15-29-57(48)68(59)46-20-7-4-8-21-46/h3-41H,1-2H3
• InChIKey: HRVSCKJBBZDULF-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.11
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine (CID 142427212) is N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine?

The InChIKey is HRVSCKJBBZDULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N5/c1-65(2)54-26-13-9-24-50(54)62-55(65)27-17-31-61(62)69(47-36-32-43(33-37-47)42-18-5-3-6-19-42)63-51-25-10-14-28-56(51)66-64(67-63)70-58-30-16-12-23-49(58)53-41-45(35-39-60(53)70)44-34-38-59-52(40-44)48-22-11-15-29-57(48)68(59)46-20-7-4-8-21-46/h3-41H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine?

N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine has a molecular weight of 896.11 g/mol, XLogP of 16.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine is sourced from PubChem (CID 142427212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).