N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine

C69H46N2 — CID 88951484

About N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine

N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine (PubChem CID 88951484) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
• PubChem CID: 88951484
• Molecular Formula: C69H46N2
• Molecular Weight: 903.14 g/mol
• Exact Mass: 902.37
• IUPAC Name: N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
• SMILES: C=C1c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
• InChI: InChI=1S/C69H46N2/c1-46-57-23-11-12-24-58(57)59-40-38-55(44-63(46)59)70(56-39-41-61-60-25-13-15-27-65(60)69(66(61)45-56,51-19-7-3-8-20-51)52-21-9-4-10-22-52)53-34-31-49(32-35-53)50-33-42-68-64(43-50)62-26-14-16-28-67(62)71(68)54-36-29-48(30-37-54)47-17-5-2-6-18-47/h2-45H,1H2
• InChIKey: KESBZTGAEXZMIQ-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.14
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?

The IUPAC name of N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine (CID 88951484) is N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?

The canonical SMILES for N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine is C=C1c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.

What is the InChIKey of N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?

The InChIKey is KESBZTGAEXZMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-46-57-23-11-12-24-58(57)59-40-38-55(44-63(46)59)70(56-39-41-61-60-25-13-15-27-65(60)69(66(61)45-56,51-19-7-3-8-20-51)52-21-9-4-10-22-52)53-34-31-49(32-35-53)50-33-42-68-64(43-50)62-26-14-16-28-67(62)71(68)54-36-29-48(30-37-54)47-17-5-2-6-18-47/h2-45H,1H2.

What are the key properties of N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine?

N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine has a molecular weight of 903.14 g/mol, XLogP of 17.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-methylidenefluoren-2-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 88951484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).