9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine

C88H70N2 — CID 89190031

About 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine

9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 89190031) has the molecular formula C88H70N2 and a molecular weight of 1155.54 g/mol. Its IUPAC name is 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
• PubChem CID: 89190031
• Molecular Formula: C88H70N2
• Molecular Weight: 1155.54 g/mol
• Exact Mass: 1154.55
• IUPAC Name: 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(C3C=CC(N(c4ccccc4)c4ccc5c(C6C=Cc7ccccc7C6)c6cc(N(C7=CCC(c8ccc9c(c8)C(C)(C)c8ccccc8-9)C=C7)c7ccccc7)ccc6c(-c6ccc7ccccc7c6)c5c4)=CC3)cc21
• InChI: InChI=1S/C88H70N2/c1-87(2)81-29-17-15-27-73(81)75-47-39-63(53-83(75)87)59-35-41-69(42-36-59)89(67-23-7-5-8-24-67)71-45-49-77-79(55-71)85(65-33-31-57-19-11-13-21-61(57)51-65)78-50-46-72(56-80(78)86(77)66-34-32-58-20-12-14-22-62(58)52-66)90(68-25-9-6-10-26-68)70-43-37-60(38-44-70)64-40-48-76-74-28-16-18-30-82(74)88(3,4)84(76)54-64/h5-35,37,39-51,53-56,59-60,66H,36,38,52H2,1-4H3
• InChIKey: MLUMHIWAGCUQJU-UHFFFAOYSA-N
• XLogP: 23.31
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.54
LogP ≤ 5	23.31
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 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

The IUPAC name of 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (CID 89190031) is 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine.

What is the SMILES notation for 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

The canonical SMILES for 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine is CC1(C)c2ccccc2-c2ccc(C3C=CC(N(c4ccccc4)c4ccc5c(C6C=Cc7ccccc7C6)c6cc(N(C7=CCC(c8ccc9c(c8)C(C)(C)c8ccccc8-9)C=C7)c7ccccc7)ccc6c(-c6ccc7ccccc7c6)c5c4)=CC3)cc21.

What is the InChIKey of 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

The InChIKey is MLUMHIWAGCUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H70N2/c1-87(2)81-29-17-15-27-73(81)75-47-39-63(53-83(75)87)59-35-41-69(42-36-59)89(67-23-7-5-8-24-67)71-45-49-77-79(55-71)85(65-33-31-57-19-11-13-21-61(57)51-65)78-50-46-72(56-80(78)86(77)66-34-32-58-20-12-14-22-62(58)52-66)90(68-25-9-6-10-26-68)70-43-37-60(38-44-70)64-40-48-76-74-28-16-18-30-82(74)88(3,4)84(76)54-64/h5-35,37,39-51,53-56,59-60,66H,36,38,52H2,1-4H3.

What are the key properties of 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine has a molecular weight of 1155.54 g/mol, XLogP of 23.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,2-dihydronaphthalen-2-yl)-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-10-naphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89190031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).