9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole

C72H50N2 — CID 170269959

About 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole

9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (PubChem CID 170269959) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
• PubChem CID: 170269959
• Molecular Formula: C72H50N2
• Molecular Weight: 943.21 g/mol
• Exact Mass: 942.40
• IUPAC Name: 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
• SMILES: C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc3N(c3ccc(-c4cccc(-c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)c4)cc3)C2C=C1
• InChI: InChI=1S/C72H50N2/c1-3-14-49(15-4-1)51-32-38-63(39-33-51)73-69-26-9-7-24-65(69)67-47-61(36-42-71(67)73)62-37-43-72-68(48-62)66-25-8-10-27-70(66)74(72)64-40-34-54(35-41-64)57-20-11-19-56(44-57)52-28-30-53(31-29-52)58-21-13-23-60(46-58)59-22-12-18-55(45-59)50-16-5-2-6-17-50/h1-48,66,70H
• InChIKey: PFTOHBNMLOTPDE-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.21
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?

The IUPAC name of 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole (CID 170269959) is 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole.

What is the SMILES notation for 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?

The canonical SMILES for 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc3N(c3ccc(-c4cccc(-c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)c4)cc3)C2C=C1.

What is the InChIKey of 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?

The InChIKey is PFTOHBNMLOTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-3-14-49(15-4-1)51-32-38-63(39-33-51)73-69-26-9-7-24-65(69)67-47-61(36-42-71(67)73)62-37-43-72-68(48-62)66-25-8-10-27-70(66)74(72)64-40-34-54(35-41-64)57-20-11-19-56(44-57)52-28-30-53(31-29-52)58-21-13-23-60(46-58)59-22-12-18-55(45-59)50-16-5-2-6-17-50/h1-48,66,70H.

What are the key properties of 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole?

9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 943.21 g/mol, XLogP of 19.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 170269959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).