3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole

C79H52N2 — CID 154590784

About 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590784) has the molecular formula C79H52N2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590784
• Molecular Formula: C79H52N2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.41
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccccc2-c2ccc(C3(c4cccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C79H52N2/c1-3-18-56(19-4-1)65-24-7-8-25-66(65)57-38-44-61(45-39-57)79(73-30-13-9-26-67(73)68-27-10-14-31-74(68)79)62-21-17-20-58(50-62)55-36-34-53(35-37-55)54-40-46-64(47-41-54)81-76-33-16-12-29-70(76)72-52-60(43-49-78(72)81)59-42-48-77-71(51-59)69-28-11-15-32-75(69)80(77)63-22-5-2-6-23-63/h1-52H
• InChIKey: JKMLZEMUZLGIQI-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole (CID 154590784) is 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccccc2-c2ccc(C3(c4cccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc87)cc6)cc5)c4)c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole?

The InChIKey is JKMLZEMUZLGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2/c1-3-18-56(19-4-1)65-24-7-8-25-66(65)57-38-44-61(45-39-57)79(73-30-13-9-26-67(73)68-27-10-14-31-74(68)79)62-21-17-20-58(50-62)55-36-34-53(35-37-55)54-40-46-64(47-41-54)81-76-33-16-12-29-70(76)72-52-60(43-49-78(72)81)59-42-48-77-71(51-59)69-28-11-15-32-75(69)80(77)63-22-5-2-6-23-63/h1-52H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 1029.30 g/mol, XLogP of 20.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).