N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C59H43N — CID 170448795

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H43N/c1-3-18-40(19-4-1)41-34-36-44(37-35-41)60(57-33-16-12-25-46(57)43-20-5-2-6-21-43)58-39-56-51(38-52(58)47-29-17-23-42-22-7-8-24-45(42)47)50-28-11-15-32-55(50)59(56)53-30-13-9-26-48(53)49-27-10-14-31-54(49)59/h1-6,9-21,23,25-39H,7-8,22,24H2
InChIKeyRHAWCRGUKZQTLW-UHFFFAOYSA-N
MW766.00 g/mol
LogP15.38
Rot. Bonds6

About N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170448795) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170448795
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H43N/c1-3-18-40(19-4-1)41-34-36-44(37-35-41)60(57-33-16-12-25-46(57)43-20-5-2-6-21-43)58-39-56-51(38-52(58)47-29-17-23-42-22-7-8-24-45(42)47)50-28-11-15-32-55(50)59(56)53-30-13-9-26-48(53)49-27-10-14-31-54(49)59/h1-6,9-21,23,25-39H,7-8,22,24H2
InChIKeyRHAWCRGUKZQTLW-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

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-(4-phenanthren-9-ylphenyl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447865
N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447927
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446119
5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538703
3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449442
N-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170447411
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
N-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170538695
N-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine
CID 170447930
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170448795) is N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is RHAWCRGUKZQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-3-18-40(19-4-1)41-34-36-44(37-35-41)60(57-33-16-12-25-46(57)43-20-5-2-6-21-43)58-39-56-51(38-52(58)47-29-17-23-42-22-7-8-24-45(42)47)50-28-11-15-32-55(50)59(56)53-30-13-9-26-48(53)49-27-10-14-31-54(49)59/h1-6,9-21,23,25-39H,7-8,22,24H2.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-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 N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170448795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).