5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C59H43N — CID 170538703

IUPAC5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C59H43N/c1-3-15-40(16-4-1)41-29-33-45(34-30-41)60(46-35-31-44(32-36-46)49-24-13-20-42-19-7-8-21-48(42)49)47-37-38-53-57(39-47)59(54-26-11-9-22-51(54)52-23-10-12-27-55(52)59)56-28-14-25-50(58(53)56)43-17-5-2-6-18-43/h1-6,9-18,20,22-39H,7-8,19,21H2
InChIKeyKNQNYVDQSPINBP-UHFFFAOYSA-N
MW766.00 g/mol
LogP15.38
Rot. Bonds6

About 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170538703) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170538703
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC Name5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C59H43N/c1-3-15-40(16-4-1)41-29-33-45(34-30-41)60(46-35-31-44(32-36-46)49-24-13-20-42-19-7-8-21-48(42)49)47-37-38-53-57(39-47)59(54-26-11-9-22-51(54)52-23-10-12-27-55(52)59)56-28-14-25-50(58(53)56)43-17-5-2-6-18-43/h1-6,9-18,20,22-39H,7-8,19,21H2
InChIKeyKNQNYVDQSPINBP-UHFFFAOYSA-N
XLogP15.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538669
9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538816
9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
N-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170538695
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538744
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538808
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448795

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 170538703) is 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc(-c5ccccc5)c3-4)cc2)cc1.
What is the InChIKey of 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is KNQNYVDQSPINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-3-15-40(16-4-1)41-29-33-45(34-30-41)60(46-35-31-44(32-36-46)49-24-13-20-42-19-7-8-21-48(42)49)47-37-38-53-57(39-47)59(54-26-11-9-22-51(54)52-23-10-12-27-55(52)59)56-28-14-25-50(58(53)56)43-17-5-2-6-18-43/h1-6,9-18,20,22-39H,7-8,19,21H2.
What are the key properties of 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 766.00 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170538703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).