N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine

C110H80N2 — CID 170116445

About N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine

N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine (PubChem CID 170116445) has the molecular formula C110H80N2 and a molecular weight of 1429.86 g/mol. Its IUPAC name is N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine.

Molecular Properties

• Compound Name: N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
• PubChem CID: 170116445
• Molecular Formula: C110H80N2
• Molecular Weight: 1429.86 g/mol
• Exact Mass: 1428.63
• IUPAC Name: N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
• SMILES: CC1(C)c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2-c2ccc(-c3ccc4ccc5c(N(c6ccc7c(c6)-c6ccccc6C76CC7CCC6C7)c6ccccc6-c6ccccc6-c6ccccc6-c6ccccc6)cccc5c4c3)cc21
• InChI: InChI=1S/C110H80N2/c1-109(2)101-62-58-80(112(108-67-77-32-9-10-35-83(77)86-38-19-20-46-96(86)108)106-50-26-23-45-95(106)90-42-18-16-40-88(90)85-37-14-12-34-82(85)73-30-7-4-8-31-73)68-99(101)93-60-56-76(66-104(93)109)75-54-53-74-55-61-97-91(98(74)65-75)47-27-51-107(97)111(79-59-63-103-100(69-79)92-43-21-24-48-102(92)110(103)70-71-52-57-78(110)64-71)105-49-25-22-44-94(105)89-41-17-15-39-87(89)84-36-13-11-33-81(84)72-28-5-3-6-29-72/h3-51,53-56,58-63,65-69,71,78H,52,57,64,70H2,1-2H3
• InChIKey: QCUZQDOEMOELJP-UHFFFAOYSA-N
• XLogP: 30.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1429.86
LogP ≤ 5	30.30
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-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?

The IUPAC name of N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine (CID 170116445) is N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine.

What is the SMILES notation for N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?

The canonical SMILES for N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine is CC1(C)c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2-c2ccc(-c3ccc4ccc5c(N(c6ccc7c(c6)-c6ccccc6C76CC7CCC6C7)c6ccccc6-c6ccccc6-c6ccccc6-c6ccccc6)cccc5c4c3)cc21.

What is the InChIKey of N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?

The InChIKey is QCUZQDOEMOELJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H80N2/c1-109(2)101-62-58-80(112(108-67-77-32-9-10-35-83(77)86-38-19-20-46-96(86)108)106-50-26-23-45-95(106)90-42-18-16-40-88(90)85-37-14-12-34-82(85)73-30-7-4-8-31-73)68-99(101)93-60-56-76(66-104(93)109)75-54-53-74-55-61-97-91(98(74)65-75)47-27-51-107(97)111(79-59-63-103-100(69-79)92-43-21-24-48-102(92)110(103)70-71-52-57-78(110)64-71)105-49-25-22-44-94(105)89-41-17-15-39-87(89)84-36-13-11-33-81(84)72-28-5-3-6-29-72/h3-51,53-56,58-63,65-69,71,78H,52,57,64,70H2,1-2H3.

What are the key properties of N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?

N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine has a molecular weight of 1429.86 g/mol, XLogP of 30.30, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[9,9-dimethyl-6-[N-phenanthren-9-yl-2-[2-(2-phenylphenyl)phenyl]anilino]fluoren-2-yl]phenanthren-1-yl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 170116445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).