N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

C120H92N4 — CID 170111775

About N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (PubChem CID 170111775) has the molecular formula C120H92N4 and a molecular weight of 1590.08 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.

Molecular Properties

• Compound Name: N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
• PubChem CID: 170111775
• Molecular Formula: C120H92N4
• Molecular Weight: 1590.08 g/mol
• Exact Mass: 1588.73
• IUPAC Name: N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
• SMILES: C1=c2c(n(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(c4)-c4cc(N(c6cccc(-n7c8ccccc8c8ccccc87)c6)c6ccccc6-c6ccccc6-c6ccccc6-c6ccccc6)ccc4C54CCCCC4)ccc23)=CCC1
• InChI: InChI=1S/C120H92N4/c1-5-36-81(37-6-1)89-42-9-11-44-91(89)93-46-13-15-48-95(93)98-51-18-24-57-111(98)121(85-40-35-41-86(78-85)122-113-59-26-20-53-100(113)101-54-21-27-60-114(101)122)87-66-70-110-106(79-87)104-76-83(65-69-108(104)120(110)74-33-4-34-75-120)84-64-68-103-102-55-22-28-61-115(102)124(118(103)77-84)117-63-30-29-62-116(117)123(88-67-71-109-105(80-88)97-50-17-23-56-107(97)119(109)72-31-3-32-73-119)112-58-25-19-52-99(112)96-49-16-14-47-94(96)92-45-12-10-43-90(92)82-38-7-2-8-39-82/h1-2,5-21,23-27,29-30,35-71,76-80H,3-4,22,28,31-34,72-75H2
• InChIKey: DPKZLKFKSPMFTO-UHFFFAOYSA-N
• XLogP: 31.15
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1590.08
LogP ≤ 5	31.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?

The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (CID 170111775) is N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.

What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?

The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is C1=c2c(n(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CCCCC3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(c4)-c4cc(N(c6cccc(-n7c8ccccc8c8ccccc87)c6)c6ccccc6-c6ccccc6-c6ccccc6-c6ccccc6)ccc4C54CCCCC4)ccc23)=CCC1.

What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?

The InChIKey is DPKZLKFKSPMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H92N4/c1-5-36-81(37-6-1)89-42-9-11-44-91(89)93-46-13-15-48-95(93)98-51-18-24-57-111(98)121(85-40-35-41-86(78-85)122-113-59-26-20-53-100(113)101-54-21-27-60-114(101)122)87-66-70-110-106(79-87)104-76-83(65-69-108(104)120(110)74-33-4-34-75-120)84-64-68-103-102-55-22-28-61-115(102)124(118(103)77-84)117-63-30-29-62-116(117)123(88-67-71-109-105(80-88)97-50-17-23-56-107(97)119(109)72-31-3-32-73-119)112-58-25-19-52-99(112)96-49-16-14-47-94(96)92-45-12-10-43-90(92)82-38-7-2-8-39-82/h1-2,5-21,23-27,29-30,35-71,76-80H,3-4,22,28,31-34,72-75H2.

What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?

N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine has a molecular weight of 1590.08 g/mol, XLogP of 31.15, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is sourced from PubChem (CID 170111775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).