4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde

C104H74N4O2 — CID 90164145

About 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde

4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde (PubChem CID 90164145) has the molecular formula C104H74N4O2 and a molecular weight of 1411.76 g/mol. Its IUPAC name is 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde.

Molecular Properties

• Compound Name: 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
• PubChem CID: 90164145
• Molecular Formula: C104H74N4O2
• Molecular Weight: 1411.76 g/mol
• Exact Mass: 1410.58
• IUPAC Name: 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(C=O)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C104H74N4O2/c1-103(2)95-21-13-11-19-87(95)89-53-51-85(63-97(89)103)105(81-43-31-71(32-44-81)69-27-23-67(65-109)24-28-69)83-47-35-73(36-48-83)75-39-55-99-91(59-75)93-61-77(41-57-101(93)107(99)79-15-7-5-8-16-79)78-42-58-102-94(62-78)92-60-76(40-56-100(92)108(102)80-17-9-6-10-18-80)74-37-49-84(50-38-74)106(82-45-33-72(34-46-82)70-29-25-68(66-110)26-30-70)86-52-54-90-88-20-12-14-22-96(88)104(3,4)98(90)64-86/h5-66H,1-4H3
• InChIKey: HOBPCFFUHOFYRK-UHFFFAOYSA-N
• XLogP: 27.39
• TPSA: 50.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1411.76
LogP ≤ 5	27.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde?

The IUPAC name of 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde (CID 90164145) is 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde.

What is the SMILES notation for 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde?

The canonical SMILES for 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccc(N(c9ccc(-c%10ccc(C=O)cc%10)cc9)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc21.

What is the InChIKey of 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde?

The InChIKey is HOBPCFFUHOFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H74N4O2/c1-103(2)95-21-13-11-19-87(95)89-53-51-85(63-97(89)103)105(81-43-31-71(32-44-81)69-27-23-67(65-109)24-28-69)83-47-35-73(36-48-83)75-39-55-99-91(59-75)93-61-77(41-57-101(93)107(99)79-15-7-5-8-16-79)78-42-58-102-94(62-78)92-60-76(40-56-100(92)108(102)80-17-9-6-10-18-80)74-37-49-84(50-38-74)106(82-45-33-72(34-46-82)70-29-25-68(66-110)26-30-70)86-52-54-90-88-20-12-14-22-96(88)104(3,4)98(90)64-86/h5-66H,1-4H3.

What are the key properties of 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde?

4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde has a molecular weight of 1411.76 g/mol, XLogP of 27.39, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde is sourced from PubChem (CID 90164145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).