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

C51H37N — CID 170447927

IUPACN-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc3c(cc2-c2cccc4c2CCCC4)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H37N/c1-2-19-37(20-3-1)52(38-30-29-34-15-4-5-17-36(34)31-38)50-33-49-44(32-45(50)40-25-14-18-35-16-6-7-21-39(35)40)43-24-10-13-28-48(43)51(49)46-26-11-8-22-41(46)42-23-9-12-27-47(42)51/h1-5,8-15,17-20,22-33H,6-7,16,21H2
InChIKeyQRXFZFKAJAPJBI-UHFFFAOYSA-N
MW663.86 g/mol
LogP13.20
Rot. Bonds4

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

N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170447927) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170447927
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC NameN-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc3c(cc2-c2cccc4c2CCCC4)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H37N/c1-2-19-37(20-3-1)52(38-30-29-34-15-4-5-17-36(34)31-38)50-33-49-44(32-45(50)40-25-14-18-35-16-6-7-21-39(35)40)43-24-10-13-28-48(43)51(49)46-26-11-8-22-41(46)42-23-9-12-27-47(42)51/h1-5,8-15,17-20,22-33H,6-7,16,21H2
InChIKeyQRXFZFKAJAPJBI-UHFFFAOYSA-N
XLogP13.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447865
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-phenyl-N-[3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-3-amine
CID 170447930
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
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447755
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538889
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446119

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170447927) is N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is c1ccc(N(c2ccc3ccccc3c2)c2cc3c(cc2-c2cccc4c2CCCC4)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is QRXFZFKAJAPJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-2-19-37(20-3-1)52(38-30-29-34-15-4-5-17-36(34)31-38)50-33-49-44(32-45(50)40-25-14-18-35-16-6-7-21-39(35)40)43-24-10-13-28-48(43)51(49)46-26-11-8-22-41(46)42-23-9-12-27-47(42)51/h1-5,8-15,17-20,22-33H,6-7,16,21H2.
What are the key properties of N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 663.86 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170447927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).