N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

C66H48N2 — CID 167195445

About N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167195445) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 167195445
• Molecular Formula: C66H48N2
• Molecular Weight: 869.12 g/mol
• Exact Mass: 868.38
• IUPAC Name: N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: C1=CC2C(C(c3cccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cc6c(c7ccccc57)CCC=C6)cc4)c3)=C1)c1ccc3ccccc3c1N2c1ccccc1
• InChI: InChI=1S/C66H48N2/c1-3-15-45(16-4-1)46-29-31-47(32-30-46)48-33-38-54(39-34-48)67(55-40-35-50(36-41-55)63-44-52-18-8-9-23-57(52)60-25-11-12-26-61(60)63)56-22-13-19-51(43-56)58-27-14-28-64-65(58)62-42-37-49-17-7-10-24-59(49)66(62)68(64)53-20-5-2-6-21-53/h1-8,10-22,24-44,64-65H,9,23H2
• InChIKey: FMYYOAIVNMIZID-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.12
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167195445) is N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is C1=CC2C(C(c3cccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cc6c(c7ccccc57)CCC=C6)cc4)c3)=C1)c1ccc3ccccc3c1N2c1ccccc1.

What is the InChIKey of N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is FMYYOAIVNMIZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-3-15-45(16-4-1)46-29-31-47(32-30-46)48-33-38-54(39-34-48)67(55-40-35-50(36-41-55)63-44-52-18-8-9-23-57(52)60-25-11-12-26-61(60)63)56-22-13-19-51(43-56)58-27-14-28-64-65(58)62-42-37-49-17-7-10-24-59(49)66(62)68(64)53-20-5-2-6-21-53/h1-8,10-22,24-44,64-65H,9,23H2.

What are the key properties of N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 869.12 g/mol, XLogP of 17.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167195445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).