7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine

C75H52N4 — CID 89213014

About 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine

7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (PubChem CID 89213014) has the molecular formula C75H52N4 and a molecular weight of 1009.27 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 89213014
• Molecular Formula: C75H52N4
• Molecular Weight: 1009.27 g/mol
• Exact Mass: 1008.42
• IUPAC Name: 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C75H52N4/c1-75(2)67-47-57(41-44-59(67)60-45-42-58(48-68(60)75)79-72-26-14-8-20-63(72)64-21-9-15-27-73(64)79)76(54-35-28-49(29-36-54)50-30-39-56(40-31-50)77-69-23-11-6-18-61(69)62-19-7-12-24-70(62)77)55-37-32-51(33-38-55)52-34-43-66-65-22-10-13-25-71(65)78(74(66)46-52)53-16-4-3-5-17-53/h3-48H,1-2H3
• InChIKey: WSMJIIITLLBJAG-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.27
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (CID 89213014) is 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The InChIKey is WSMJIIITLLBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N4/c1-75(2)67-47-57(41-44-59(67)60-45-42-58(48-68(60)75)79-72-26-14-8-20-63(72)64-21-9-15-27-73(64)79)76(54-35-28-49(29-36-54)50-30-39-56(40-31-50)77-69-23-11-6-18-61(69)62-19-7-12-24-70(62)77)55-37-32-51(33-38-55)52-34-43-66-65-22-10-13-25-71(65)78(74(66)46-52)53-16-4-3-5-17-53/h3-48H,1-2H3.

What are the key properties of 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine has a molecular weight of 1009.27 g/mol, XLogP of 20.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 89213014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).