2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine

C60H65N — CID 88555913

IUPAC2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine
SMILESCC(C)(C)C1=CC2=C(CC1)c1ccc(C(C)(C)C)cc1C21C2=C(CCC=C2)C2=C1C=C(N(C1=CCCC=C1c1ccccc1)C1C=C3C(=CC1)C1CC=CC=C1C3(C)C)CC2
InChIInChI=1S/C60H65N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-12,15-16,18-20,23-26,30,32,34-37,41,44H,13-14,17,21-22,27-29,31,33H2,1-8H3
InChIKeyWWYYQHACNSUFLG-UHFFFAOYSA-N
MW800.19 g/mol
LogP15.62
Rot. Bonds4

About 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine

2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine (PubChem CID 88555913) has the molecular formula C60H65N and a molecular weight of 800.19 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine
PubChem CID88555913
Molecular FormulaC60H65N
Molecular Weight800.19 g/mol
Exact Mass799.51
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine
SMILESCC(C)(C)C1=CC2=C(CC1)c1ccc(C(C)(C)C)cc1C21C2=C(CCC=C2)C2=C1C=C(N(C1=CCCC=C1c1ccccc1)C1C=C3C(=CC1)C1CC=CC=C1C3(C)C)CC2
InChIInChI=1S/C60H65N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-12,15-16,18-20,23-26,30,32,34-37,41,44H,13-14,17,21-22,27-29,31,33H2,1-8H3
InChIKeyWWYYQHACNSUFLG-UHFFFAOYSA-N
XLogP15.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.19
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine (CID 88555913) is 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine is CC(C)(C)C1=CC2=C(CC1)c1ccc(C(C)(C)C)cc1C21C2=C(CCC=C2)C2=C1C=C(N(C1=CCCC=C1c1ccccc1)C1C=C3C(=CC1)C1CC=CC=C1C3(C)C)CC2.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine?
The InChIKey is WWYYQHACNSUFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-12,15-16,18-20,23-26,30,32,34-37,41,44H,13-14,17,21-22,27-29,31,33H2,1-8H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine?
2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine has a molecular weight of 800.19 g/mol, XLogP of 15.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3,4b,5-tetrahydrofluoren-2-yl)-N-(6-phenylcyclohexa-1,5-dien-1-yl)spiro[3,4,5,6-tetrahydrofluorene-9,9'-3,4-dihydrofluorene]-2-amine is sourced from PubChem (CID 88555913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).