N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

C41H27N — CID 172544682

IUPACN-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1cc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C41H27N/c1-2-12-28-25-30(24-23-27(28)11-1)29-13-9-14-31(26-29)42-39-22-10-21-38-40(39)34-17-5-8-20-37(34)41(38)35-18-6-3-15-32(35)33-16-4-7-19-36(33)41/h1-26,42H
InChIKeyOVPXHJUALHQQNJ-UHFFFAOYSA-N
MW533.67 g/mol
LogP10.59
Rot. Bonds3

About N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 172544682) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID172544682
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC NameN-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1cc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C41H27N/c1-2-12-28-25-30(24-23-27(28)11-1)29-13-9-14-31(26-29)42-39-22-10-21-38-40(39)34-17-5-8-20-37(34)41(38)35-18-6-3-15-32(35)33-16-4-7-19-36(33)41/h1-26,42H
InChIKeyOVPXHJUALHQQNJ-UHFFFAOYSA-N
XLogP10.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 510.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-naphthalen-2-ylphenyl)phenyl]spiro[fluorene-9,9'-thioxanthene]-4'-amine
CID 164707085
N-[4-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 177114125
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
CID 89331007
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160799139
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
2-(3,5-diphenylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 159713077
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 172544682) is N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1cc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is OVPXHJUALHQQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-2-12-28-25-30(24-23-27(28)11-1)29-13-9-14-31(26-29)42-39-22-10-21-38-40(39)34-17-5-8-20-37(34)41(38)35-18-6-3-15-32(35)33-16-4-7-19-36(33)41/h1-26,42H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 533.67 g/mol, XLogP of 10.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 172544682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).