N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine

C69H49NO — CID 168801937

IUPACN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C69H49NO/c1-68(2,3)49-36-31-46(32-37-49)44-27-29-45(30-28-44)47-33-38-50(39-34-47)70(63-42-35-48-15-4-5-16-52(48)66(63)57-21-14-26-65-67(57)56-20-9-13-25-64(56)71-65)51-40-41-62-58(43-51)55-19-8-12-24-61(55)69(62)59-22-10-6-17-53(59)54-18-7-11-23-60(54)69/h4-43H,1-3H3
InChIKeyPUNJBWOKSRQFNE-UHFFFAOYSA-N
MW908.16 g/mol
LogP18.85
Rot. Bonds6

About N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 168801937) has the molecular formula C69H49NO and a molecular weight of 908.16 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID168801937
Molecular FormulaC69H49NO
Molecular Weight908.16 g/mol
Exact Mass907.38
IUPAC NameN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C69H49NO/c1-68(2,3)49-36-31-46(32-37-49)44-27-29-45(30-28-44)47-33-38-50(39-34-47)70(63-42-35-48-15-4-5-16-52(48)66(63)57-21-14-26-65-67(57)56-20-9-13-25-64(56)71-65)51-40-41-62-58(43-51)55-19-8-12-24-61(55)69(62)59-22-10-6-17-53(59)54-18-7-11-23-60(54)69/h4-43H,1-3H3
InChIKeyPUNJBWOKSRQFNE-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.16
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
CID 168801779
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802034
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168802092
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-15-amine
CID 129130281
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802481
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168801967
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
2',7'-ditert-butyl-N-(3-dibenzofuran-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170113847

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine (CID 168801937) is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine is CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4cccc5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is PUNJBWOKSRQFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49NO/c1-68(2,3)49-36-31-46(32-37-49)44-27-29-45(30-28-44)47-33-38-50(39-34-47)70(63-42-35-48-15-4-5-16-52(48)66(63)57-21-14-26-65-67(57)56-20-9-13-25-64(56)71-65)51-40-41-62-58(43-51)55-19-8-12-24-61(55)69(62)59-22-10-6-17-53(59)54-18-7-11-23-60(54)69/h4-43H,1-3H3.
What are the key properties of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine?
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 908.16 g/mol, XLogP of 18.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 168801937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).