2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine

C69H61N — CID 177067137

IUPAC2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
SMILESCC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C69H61N/c1-42(2)44-27-34-58-54(37-44)55-38-45(43(3)4)28-35-59(55)68(58)56-23-15-13-21-50(56)52-32-30-48(40-63(52)68)70(47-19-11-10-12-20-47)49-31-33-53-51-22-14-16-24-57(51)69(64(53)41-49)62-26-18-17-25-60(62)67(8,9)61-36-29-46(39-65(61)69)66(5,6)7/h10-43H,1-9H3
InChIKeyNGFPQADEWNIUDH-UHFFFAOYSA-N
MW904.25 g/mol
LogP18.05
Rot. Bonds5

About 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine

2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine (PubChem CID 177067137) has the molecular formula C69H61N and a molecular weight of 904.25 g/mol. Its IUPAC name is 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
PubChem CID177067137
Molecular FormulaC69H61N
Molecular Weight904.25 g/mol
Exact Mass903.48
IUPAC Name2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
SMILESCC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C69H61N/c1-42(2)44-27-34-58-54(37-44)55-38-45(43(3)4)28-35-59(55)68(58)56-23-15-13-21-50(56)52-32-30-48(40-63(52)68)70(47-19-11-10-12-20-47)49-31-33-53-51-22-14-16-24-57(51)69(64(53)41-49)62-26-18-17-25-60(62)67(8,9)61-36-29-46(39-65(61)69)66(5,6)7/h10-43H,1-9H3
InChIKeyNGFPQADEWNIUDH-UHFFFAOYSA-N
XLogP18.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.25
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine with MolForge

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Related Compounds

N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067292
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
3,6-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170215490
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
CID 59308503

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine?
The IUPAC name of 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine (CID 177067137) is 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine?
The canonical SMILES for 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine is CC(C)c1ccc2c(c1)-c1cc(C(C)C)ccc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C)(C)c4ccc(C(C)(C)C)cc43)cc21.
What is the InChIKey of 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine?
The InChIKey is NGFPQADEWNIUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H61N/c1-42(2)44-27-34-58-54(37-44)55-38-45(43(3)4)28-35-59(55)68(58)56-23-15-13-21-50(56)52-32-30-48(40-63(52)68)70(47-19-11-10-12-20-47)49-31-33-53-51-22-14-16-24-57(51)69(64(53)41-49)62-26-18-17-25-60(62)67(8,9)61-36-29-46(39-65(61)69)66(5,6)7/h10-43H,1-9H3.
What are the key properties of 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine?
2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine has a molecular weight of 904.25 g/mol, XLogP of 18.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 177067137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).