N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine

C73H51NO — CID 168801779

IUPACN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C73H51NO/c1-72(2,3)53-36-31-48(32-37-53)46-27-29-47(30-28-46)49-33-38-54(39-34-49)74(67-42-35-50-15-6-7-18-56(50)70(67)60-22-14-26-69-71(60)59-21-10-13-25-68(59)75-69)55-40-41-65-62(45-55)61-43-51-16-4-5-17-52(51)44-66(61)73(65)63-23-11-8-19-57(63)58-20-9-12-24-64(58)73/h4-45H,1-3H3
InChIKeyUHFHJUQLEPOYEK-UHFFFAOYSA-N
MW958.22 g/mol
LogP20.00
Rot. Bonds6

About N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine (PubChem CID 168801779) has the molecular formula C73H51NO and a molecular weight of 958.22 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
PubChem CID168801779
Molecular FormulaC73H51NO
Molecular Weight958.22 g/mol
Exact Mass957.40
IUPAC NameN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4cccc5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C73H51NO/c1-72(2,3)53-36-31-48(32-37-53)46-27-29-47(30-28-46)49-33-38-54(39-34-49)74(67-42-35-50-15-6-7-18-56(50)70(67)60-22-14-26-69-71(60)59-21-10-13-25-68(59)75-69)55-40-41-65-62(45-55)61-43-51-16-4-5-17-52(51)44-66(61)73(65)63-23-11-8-19-57(63)58-20-9-12-24-64(58)73/h4-45H,1-3H3
InChIKeyUHFHJUQLEPOYEK-UHFFFAOYSA-N
XLogP20.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.22
LogP ≤ 520.00
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)-9,9'-spirobi[fluorene]-3-amine
CID 168801937
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
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)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802034
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
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
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-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802469
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177114266
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
The IUPAC name of 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) is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine.
What is the SMILES notation for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
The canonical SMILES for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine is CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4cc6ccccc6cc4C54c5ccccc5-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)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
The InChIKey is UHFHJUQLEPOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51NO/c1-72(2,3)53-36-31-48(32-37-53)46-27-29-47(30-28-46)49-33-38-54(39-34-49)74(67-42-35-50-15-6-7-18-56(50)70(67)60-22-14-26-69-71(60)59-21-10-13-25-68(59)75-69)55-40-41-65-62(45-55)61-43-51-16-4-5-17-52(51)44-66(61)73(65)63-23-11-8-19-57(63)58-20-9-12-24-64(58)73/h4-45H,1-3H3.
What are the key properties of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine?
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine has a molecular weight of 958.22 g/mol, XLogP of 20.00, 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)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine is sourced from PubChem (CID 168801779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).