3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C134H80N4 — CID 138730966

About 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138730966) has the molecular formula C134H80N4 and a molecular weight of 1746.14 g/mol. Its IUPAC name is 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138730966
• Molecular Formula: C134H80N4
• Molecular Weight: 1746.14 g/mol
• Exact Mass: 1744.64
• IUPAC Name: 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7c(cc6N(c6ccc8ccccc8c6)c6ccc8c9ccccc9c9ccccc9c8c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C134H80N4/c1-2-31-83-71-87(62-59-81(83)29-1)135(89-64-68-100-95-35-6-5-33-93(95)94-34-7-9-37-97(94)112(100)75-89)132-80-124-115(107-44-16-25-53-122(107)134(124)119-50-22-13-41-104(119)105-42-14-23-51-120(105)134)78-130(132)138-127-56-28-19-47-110(127)116-74-85(61-70-128(116)138)84-60-66-99-96-36-8-10-38-98(96)113-76-90(65-69-101(113)111(99)73-84)136(88-63-67-92-86(72-88)58-57-82-30-3-4-32-91(82)92)131-79-123-114(77-129(131)137-125-54-26-17-45-108(125)109-46-18-27-55-126(109)137)106-43-15-24-52-121(106)133(123)117-48-20-11-39-102(117)103-40-12-21-49-118(103)133/h1-80H
• InChIKey: PSVHDEWXPNNFMR-UHFFFAOYSA-N
• XLogP: 35.55
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1746.14
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138730966) is 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7c(cc6N(c6ccc8ccccc8c6)c6ccc8c9ccccc9c9ccccc9c8c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc5c5ccccc5c4c3)cc21.

What is the InChIKey of 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is PSVHDEWXPNNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H80N4/c1-2-31-83-71-87(62-59-81(83)29-1)135(89-64-68-100-95-35-6-5-33-93(95)94-34-7-9-37-97(94)112(100)75-89)132-80-124-115(107-44-16-25-53-122(107)134(124)119-50-22-13-41-104(119)105-42-14-23-51-120(105)134)78-130(132)138-127-56-28-19-47-110(127)116-74-85(61-70-128(116)138)84-60-66-99-96-36-8-10-38-98(96)113-76-90(65-69-101(113)111(99)73-84)136(88-63-67-92-86(72-88)58-57-82-30-3-4-32-91(82)92)131-79-123-114(77-129(131)137-125-54-26-17-45-108(125)109-46-18-27-55-126(109)137)106-43-15-24-52-121(106)133(123)117-48-20-11-39-102(117)103-40-12-21-49-118(103)133/h1-80H.

What are the key properties of 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1746.14 g/mol, XLogP of 35.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[3-[10-[(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-phenanthren-2-ylamino]triphenylen-2-yl]carbazol-9-yl]-N-naphthalen-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138730966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).