10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine

C75H62N2 — CID 88999964

About 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine

10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine (PubChem CID 88999964) has the molecular formula C75H62N2 and a molecular weight of 991.34 g/mol. Its IUPAC name is 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine
• PubChem CID: 88999964
• Molecular Formula: C75H62N2
• Molecular Weight: 991.34 g/mol
• Exact Mass: 990.49
• IUPAC Name: 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine
• SMILES: C/C=C\C1=C(C)N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)c3c2)c2ccccc2C1(C)C
• InChI: InChI=1S/C75H62N2/c1-9-22-62-47(2)76(68-34-17-14-31-64(68)73(62,3)4)52-38-42-59-60(45-52)71(51-26-20-25-49(43-51)50-37-40-56-55-28-12-13-30-63(55)74(5,6)67(56)44-50)58-41-39-53(46-61(58)72(59)57-29-21-24-48-23-10-11-27-54(48)57)77-69-35-18-15-32-65(69)75(7,8)66-33-16-19-36-70(66)77/h9-46H,1-8H3/b22-9-
• InChIKey: YSCLDFKVXYNLCR-AFPJDJCSSA-N
• XLogP: 20.84
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.34
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine (CID 88999964) is 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine is C/C=C\C1=C(C)N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)c3c2)c2ccccc2C1(C)C.

What is the InChIKey of 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine?

The InChIKey is YSCLDFKVXYNLCR-AFPJDJCSSA-N. The full InChI is InChI=1S/C75H62N2/c1-9-22-62-47(2)76(68-34-17-14-31-64(68)73(62,3)4)52-38-42-59-60(45-52)71(51-26-20-25-49(43-51)50-37-40-56-55-28-12-13-30-63(55)74(5,6)67(56)44-50)58-41-39-53(46-61(58)72(59)57-29-21-24-48-23-10-11-27-54(48)57)77-69-35-18-15-32-65(69)75(7,8)66-33-16-19-36-70(66)77/h9-46H,1-8H3/b22-9-.

What are the key properties of 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine?

10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 991.34 g/mol, XLogP of 20.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 88999964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).