7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine

C70H54N2 — CID 144690352

About 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine

7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 144690352) has the molecular formula C70H54N2 and a molecular weight of 923.22 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 144690352
• Molecular Formula: C70H54N2
• Molecular Weight: 923.22 g/mol
• Exact Mass: 922.43
• IUPAC Name: 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
• InChI: InChI=1S/C70H54N2/c1-5-47-24-28-49(29-25-47)45-70(46-50-30-26-48(6-2)27-31-50)65-43-55(37-40-59(65)60-41-38-56(44-66(60)70)72-67-22-14-11-19-61(67)62-20-12-15-23-68(62)72)71(53-34-32-52(33-35-53)51-16-8-7-9-17-51)54-36-39-58-57-18-10-13-21-63(57)69(3,4)64(58)42-54/h5-44H,1-2,45-46H2,3-4H3
• InChIKey: SVHHHKWLPMSZCV-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.22
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 144690352) is 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.

What is the InChIKey of 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is SVHHHKWLPMSZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N2/c1-5-47-24-28-49(29-25-47)45-70(46-50-30-26-48(6-2)27-31-50)65-43-55(37-40-59(65)60-41-38-56(44-66(60)70)72-67-22-14-11-19-61(67)62-20-12-15-23-68(62)72)71(53-34-32-52(33-35-53)51-16-8-7-9-17-51)54-36-39-58-57-18-10-13-21-63(57)69(3,4)64(58)42-54/h5-44H,1-2,45-46H2,3-4H3.

What are the key properties of 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine?

7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 923.22 g/mol, XLogP of 18.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).