3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C85H56N2 — CID 154590406

About 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 154590406) has the molecular formula C85H56N2 and a molecular weight of 1105.40 g/mol. Its IUPAC name is 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 154590406
• Molecular Formula: C85H56N2
• Molecular Weight: 1105.40 g/mol
• Exact Mass: 1104.44
• IUPAC Name: 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccc(-c7cccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)c7)cc6)cc5)ccc43)c2)cc1
• InChI: InChI=1S/C85H56N2/c1-3-20-57(21-4-1)64-25-19-29-70(54-64)87-82-39-16-12-35-76(82)78-56-66(47-51-84(78)87)65-46-50-83-77(55-65)75-34-11-15-38-81(75)86(83)69-48-44-60(45-49-69)72-31-8-7-30-71(72)59-42-40-58(41-43-59)61-22-17-23-62(52-61)63-24-18-28-68(53-63)85(67-26-5-2-6-27-67)79-36-13-9-32-73(79)74-33-10-14-37-80(74)85/h1-56H
• InChIKey: DKXCUILHARUOFX-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.40
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 154590406) is 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

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

The canonical SMILES for 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccc(-c7cccc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)c7)cc6)cc5)ccc43)c2)cc1.

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

The InChIKey is DKXCUILHARUOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N2/c1-3-20-57(21-4-1)64-25-19-29-70(54-64)87-82-39-16-12-35-76(82)78-56-66(47-51-84(78)87)65-46-50-83-77(55-65)75-34-11-15-38-81(75)86(83)69-48-44-60(45-49-69)72-31-8-7-30-71(72)59-42-40-58(41-43-59)61-22-17-23-62(52-61)63-24-18-28-68(53-63)85(67-26-5-2-6-27-67)79-36-13-9-32-73(79)74-33-10-14-37-80(74)85/h1-56H.

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

3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 1105.40 g/mol, XLogP of 22.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 154590406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).