2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine

C75H59NO — CID 170113847

IUPAC2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3cc(N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)ccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C75H59NO/c1-73(2,3)50-38-41-60-61-42-39-51(74(4,5)6)46-68(61)75(67(60)45-50)65-34-17-14-30-59(65)64-47-53(40-43-66(64)75)76(52-25-20-24-49(44-52)55-33-21-37-71-72(55)63-32-16-19-36-70(63)77-71)69-35-18-15-31-62(69)58-29-13-12-28-57(58)56-27-11-10-26-54(56)48-22-8-7-9-23-48/h7-47H,1-6H3
InChIKeyJIXOMIUSTXJKMZ-UHFFFAOYSA-N
MW990.30 g/mol
LogP20.66
Rot. Bonds7

About 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine

2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 170113847) has the molecular formula C75H59NO and a molecular weight of 990.30 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
PubChem CID170113847
Molecular FormulaC75H59NO
Molecular Weight990.30 g/mol
Exact Mass989.46
IUPAC Name2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3cc(N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)ccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C75H59NO/c1-73(2,3)50-38-41-60-61-42-39-51(74(4,5)6)46-68(61)75(67(60)45-50)65-34-17-14-30-59(65)64-47-53(40-43-66(64)75)76(52-25-20-24-49(44-52)55-33-21-37-71-72(55)63-32-16-19-36-70(63)77-71)69-35-18-15-31-62(69)58-29-13-12-28-57(58)56-27-11-10-26-54(56)48-22-8-7-9-23-48/h7-47H,1-6H3
InChIKeyJIXOMIUSTXJKMZ-UHFFFAOYSA-N
XLogP20.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.30
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 156524645
2'-tert-butyl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 167056821
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
CID 121444454
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168801937
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
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
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116741
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-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839679

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine (CID 170113847) is 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3cc(N(c4cccc(-c5cccc6oc7ccccc7c56)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)ccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is JIXOMIUSTXJKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H59NO/c1-73(2,3)50-38-41-60-61-42-39-51(74(4,5)6)46-68(61)75(67(60)45-50)65-34-17-14-30-59(65)64-47-53(40-43-66(64)75)76(52-25-20-24-49(44-52)55-33-21-37-71-72(55)63-32-16-19-36-70(63)77-71)69-35-18-15-31-62(69)58-29-13-12-28-57(58)56-27-11-10-26-54(56)48-22-8-7-9-23-48/h7-47H,1-6H3.
What are the key properties of 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine?
2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 990.30 g/mol, XLogP of 20.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 170113847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).