N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine

C53H39NO — CID 121444454

IUPACN-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2ccc2c3oc3ccccc32)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C53H39NO/c1-52(2,3)35-25-27-36(28-26-35)54(48-23-13-9-17-38(48)34-15-5-4-6-16-34)37-29-31-46-43(33-37)39-18-7-11-21-44(39)53(46)45-22-12-8-20-42(45)50-47(53)32-30-41-40-19-10-14-24-49(40)55-51(41)50/h4-33H,1-3H3
InChIKeyXXIGYXUPOREKAG-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.36
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine

N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine (PubChem CID 121444454) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
PubChem CID121444454
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC NameN-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2ccc2c3oc3ccccc32)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C53H39NO/c1-52(2,3)35-25-27-36(28-26-35)54(48-23-13-9-17-38(48)34-15-5-4-6-16-34)37-29-31-46-43(33-37)39-18-7-11-21-44(39)53(46)45-22-12-8-20-42(45)50-47(53)32-30-41-40-19-10-14-24-49(40)55-51(41)50/h4-33H,1-3H3
InChIKeyXXIGYXUPOREKAG-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
15,15,25,25-tetramethyl-N-(2-phenylphenyl)-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088668
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 158201321
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463123
N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130259
2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170113847
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-9,9-bis(4-phenylphenyl)fluoren-2-amine
CID 158372369
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465184
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine (CID 121444454) is N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2ccc2c3oc3ccccc32)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine?
The InChIKey is XXIGYXUPOREKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-52(2,3)35-25-27-36(28-26-35)54(48-23-13-9-17-38(48)34-15-5-4-6-16-34)37-29-31-46-43(33-37)39-18-7-11-21-44(39)53(46)45-22-12-8-20-42(45)50-47(53)32-30-41-40-19-10-14-24-49(40)55-51(41)50/h4-33H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine?
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine has a molecular weight of 705.90 g/mol, XLogP of 14.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine is sourced from PubChem (CID 121444454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).