N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine

C116H80N2 — CID 167177372

About N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine

N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine (PubChem CID 167177372) has the molecular formula C116H80N2 and a molecular weight of 1501.93 g/mol. Its IUPAC name is N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine.

Molecular Properties

• Compound Name: N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine
• PubChem CID: 167177372
• Molecular Formula: C116H80N2
• Molecular Weight: 1501.93 g/mol
• Exact Mass: 1500.63
• IUPAC Name: N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-c3cccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5c6cc(-c7ccc8c9ccc(N(c%10ccccc%10)c%10cccc%11c%10C(C)(C)c%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9c9ccccc9c8c7)ccc6c6ccccc6c5c4)c32)c2ccccc21
• InChI: InChI=1S/C116H80N2/c1-113(2)102-47-21-25-51-106(102)116(107-52-26-22-48-103(107)113)101-46-20-17-42-93(101)94-43-28-54-109(111(94)116)118(80-60-56-74(57-61-80)76-33-27-32-75(68-76)73-30-7-5-8-31-73)82-63-67-90-96-70-78(58-64-87(96)83-36-11-12-37-84(83)98(90)72-82)77-59-65-88-89-66-62-81(71-97(89)86-39-14-13-38-85(86)95(88)69-77)117(79-34-9-6-10-35-79)110-55-29-53-108-112(110)114(3,4)104-49-23-24-50-105(104)115(108)99-44-18-15-40-91(99)92-41-16-19-45-100(92)115/h5-72H,1-4H3
• InChIKey: KMYZOXZPKRBYTQ-UHFFFAOYSA-N
• XLogP: 30.55
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1501.93
LogP ≤ 5	30.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine?

The IUPAC name of N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine (CID 167177372) is N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine.

What is the SMILES notation for N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine?

The canonical SMILES for N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3cccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5c6cc(-c7ccc8c9ccc(N(c%10ccccc%10)c%10cccc%11c%10C(C)(C)c%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9c9ccccc9c8c7)ccc6c6ccccc6c5c4)c32)c2ccccc21.

What is the InChIKey of N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine?

The InChIKey is KMYZOXZPKRBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H80N2/c1-113(2)102-47-21-25-51-106(102)116(107-52-26-22-48-103(107)113)101-46-20-17-42-93(101)94-43-28-54-109(111(94)116)118(80-60-56-74(57-61-80)76-33-27-32-75(68-76)73-30-7-5-8-31-73)82-63-67-90-96-70-78(58-64-87(96)83-36-11-12-37-84(83)98(90)72-82)77-59-65-88-89-66-62-81(71-97(89)86-39-14-13-38-85(86)95(88)69-77)117(79-34-9-6-10-35-79)110-55-29-53-108-112(110)114(3,4)104-49-23-24-50-105(104)115(108)99-44-18-15-40-91(99)92-41-16-19-45-100(92)115/h5-72H,1-4H3.

What are the key properties of N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine?

N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine has a molecular weight of 1501.93 g/mol, XLogP of 30.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine is sourced from PubChem (CID 167177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).