N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene

C70H60N2 — CID 145232511

About N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene

N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene (PubChem CID 145232511) has the molecular formula C70H60N2 and a molecular weight of 929.26 g/mol. Its IUPAC name is N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene
• PubChem CID: 145232511
• Molecular Formula: C70H60N2
• Molecular Weight: 929.26 g/mol
• Exact Mass: 928.48
• IUPAC Name: N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.CC.CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)c5)ccc43)cccc21
• InChI: InChI=1S/C63H46N2.C5H8.C2H6/c1-63(2)57-23-11-9-22-55(57)62-58(63)24-14-26-61(62)65-59-25-12-10-21-54(59)56-42-50(33-40-60(56)65)49-20-13-19-48(41-49)47-31-38-53(39-32-47)64(51-34-27-45(28-35-51)43-15-5-3-6-16-43)52-36-29-46(30-37-52)44-17-7-4-8-18-44;1-3-5-4-2;1-2/h3-42H,1-2H3;3-5H,1H2,2H3;1-2H3/b;5-4-
• InChIKey: RLHOYTJMFAEAIW-FXHNQCOHSA-N
• XLogP: 20.00
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.26
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene?

The IUPAC name of N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene (CID 145232511) is N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene.

What is the SMILES notation for N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene?

The canonical SMILES for N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene is C=C/C=C\C.CC.CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(-c5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)c5)ccc43)cccc21.

What is the InChIKey of N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene?

The InChIKey is RLHOYTJMFAEAIW-FXHNQCOHSA-N. The full InChI is InChI=1S/C63H46N2.C5H8.C2H6/c1-63(2)57-23-11-9-22-55(57)62-58(63)24-14-26-61(62)65-59-25-12-10-21-54(59)56-42-50(33-40-60(56)65)49-20-13-19-48(41-49)47-31-38-53(39-32-47)64(51-34-27-45(28-35-51)43-15-5-3-6-16-43)52-36-29-46(30-37-52)44-17-7-4-8-18-44;1-3-5-4-2;1-2/h3-42H,1-2H3;3-5H,1H2,2H3;1-2H3/b;5-4-;.

What are the key properties of N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene?

N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene has a molecular weight of 929.26 g/mol, XLogP of 20.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene is sourced from PubChem (CID 145232511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).