6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine

C75H69N — CID 167413746

IUPAC6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)CCc1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccccc3-c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C75H69N/c1-72(2,3)54-32-36-63-52(44-54)30-31-53-45-55(73(4,5)6)33-37-64(53)75(63)65-25-13-10-23-60(65)61-35-34-58(46-68(61)75)76(69-28-15-12-22-59(69)51-21-16-20-50(43-51)49-18-8-7-9-19-49)70-29-17-27-67-71(70)62-24-11-14-26-66(62)74(67)56-39-47-38-48(41-56)42-57(74)40-47/h7-29,32-37,43-48,56-57H,30-31,38-42H2,1-6H3
InChIKeyZQYWOUGNLDMUIC-UHFFFAOYSA-N
MW984.38 g/mol
LogP19.27
Rot. Bonds5

About 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine

6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine (PubChem CID 167413746) has the molecular formula C75H69N and a molecular weight of 984.38 g/mol. Its IUPAC name is 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine.

Molecular Properties

Compound Name6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
PubChem CID167413746
Molecular FormulaC75H69N
Molecular Weight984.38 g/mol
Exact Mass983.54
IUPAC Name6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)CCc1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccccc3-c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C75H69N/c1-72(2,3)54-32-36-63-52(44-54)30-31-53-45-55(73(4,5)6)33-37-64(53)75(63)65-25-13-10-23-60(65)61-35-34-58(46-68(61)75)76(69-28-15-12-22-59(69)51-21-16-20-50(43-51)49-18-8-7-9-19-49)70-29-17-27-67-71(70)62-24-11-14-26-66(62)74(67)56-39-47-38-48(41-56)42-57(74)40-47/h7-29,32-37,43-48,56-57H,30-31,38-42H2,1-6H3
InChIKeyZQYWOUGNLDMUIC-UHFFFAOYSA-N
XLogP19.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.38
LogP ≤ 519.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413771
7'-tert-butyl-N,1'-diphenyl-N-spiro[adamantane-2,9'-fluorene]-4'-yl-9,9'-spirobi[fluorene]-2-amine
CID 155407257
6',13'-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine
CID 167413777
2,7-ditert-butyl-10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[anthracene-9,9'-fluorene]-1'-amine
CID 167413683
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
N-[2-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-amine
CID 167413813
N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167413747
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-4-yl]-2',7'-ditert-butyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134415484

Frequently Asked Questions

What is the IUPAC name of 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
The IUPAC name of 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine (CID 167413746) is 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine.
What is the SMILES notation for 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
The canonical SMILES for 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine is CC(C)(C)c1ccc2c(c1)CCc1cc(C(C)(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccccc3-c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
The InChIKey is ZQYWOUGNLDMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H69N/c1-72(2,3)54-32-36-63-52(44-54)30-31-53-45-55(73(4,5)6)33-37-64(53)75(63)65-25-13-10-23-60(65)61-35-34-58(46-68(61)75)76(69-28-15-12-22-59(69)51-21-16-20-50(43-51)49-18-8-7-9-19-49)70-29-17-27-67-71(70)62-24-11-14-26-66(62)74(67)56-39-47-38-48(41-56)42-57(74)40-47/h7-29,32-37,43-48,56-57H,30-31,38-42H2,1-6H3.
What are the key properties of 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine?
6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine has a molecular weight of 984.38 g/mol, XLogP of 19.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6',13'-ditert-butyl-N-[2-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-amine is sourced from PubChem (CID 167413746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).