N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C65H48N2 — CID 163673554

About N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 163673554) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 163673554
• Molecular Formula: C65H48N2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.38
• IUPAC Name: N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• SMILES: C1=CCC(C2(c3ccccc3)c3ccccc3-c3cccc(N4c5ccccc5C5C=CC(c6cccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8ccccc78)c6)=CC54)c32)C=C1
• InChI: InChI=1S/C65H48N2/c1-4-19-45(20-5-1)46-37-40-52(41-38-46)66(60-35-17-22-47-21-10-11-29-54(47)60)53-28-16-23-48(43-53)49-39-42-57-56-31-13-15-34-61(56)67(63(57)44-49)62-36-18-32-58-55-30-12-14-33-59(55)65(64(58)62,50-24-6-2-7-25-50)51-26-8-3-9-27-51/h1-26,28-44,51,57,63H,27H2
• InChIKey: JEQUOBKKGCZOSF-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The IUPAC name of N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 163673554) is N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is C1=CCC(C2(c3ccccc3)c3ccccc3-c3cccc(N4c5ccccc5C5C=CC(c6cccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8ccccc78)c6)=CC54)c32)C=C1.

What is the InChIKey of N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The InChIKey is JEQUOBKKGCZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-4-19-45(20-5-1)46-37-40-52(41-38-46)66(60-35-17-22-47-21-10-11-29-54(47)60)53-28-16-23-48(43-53)49-39-42-57-56-31-13-15-34-61(56)67(63(57)44-49)62-36-18-32-58-55-30-12-14-33-59(55)65(64(58)62,50-24-6-2-7-25-50)51-26-8-3-9-27-51/h1-26,28-44,51,57,63H,27H2.

What are the key properties of N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 857.11 g/mol, XLogP of 16.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[9-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-1-yl)-4a,9a-dihydrocarbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 163673554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).