N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine

C41H27N — CID 172508818

IUPACN-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine
SMILESc1ccc(Nc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C41H27N/c1-2-13-27(14-3-1)42-39-26-25-29(28-15-4-5-18-32(28)39)33-20-12-24-38-40(33)34-19-8-11-23-37(34)41(38)35-21-9-6-16-30(35)31-17-7-10-22-36(31)41/h1-26,42H
InChIKeyNIRSDKYTKNZRTQ-UHFFFAOYSA-N
MW533.67 g/mol
LogP10.59
Rot. Bonds3

About N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine

N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine (PubChem CID 172508818) has the molecular formula C41H27N and a molecular weight of 533.67 g/mol. Its IUPAC name is N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine
PubChem CID172508818
Molecular FormulaC41H27N
Molecular Weight533.67 g/mol
Exact Mass533.21
IUPAC NameN-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine
SMILESc1ccc(Nc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C41H27N/c1-2-13-27(14-3-1)42-39-26-25-29(28-15-4-5-18-32(28)39)33-20-12-24-38-40(33)34-19-8-11-23-37(34)41(38)35-21-9-6-16-30(35)31-17-7-10-22-36(31)41/h1-26,42H
InChIKeyNIRSDKYTKNZRTQ-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

1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
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
4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333010
N-(4-phenylnaphthalen-1-yl)-2-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477245
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 171444458
CID 102532137
CID 102532137
9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 172544729

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine?
The IUPAC name of N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine (CID 172508818) is N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine.
What is the SMILES notation for N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine?
The canonical SMILES for N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine is c1ccc(Nc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc23)cc1.
What is the InChIKey of N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine?
The InChIKey is NIRSDKYTKNZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N/c1-2-13-27(14-3-1)42-39-26-25-29(28-15-4-5-18-32(28)39)33-20-12-24-38-40(33)34-19-8-11-23-37(34)41(38)35-21-9-6-16-30(35)31-17-7-10-22-36(31)41/h1-26,42H.
What are the key properties of N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine?
N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-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-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine is sourced from PubChem (CID 172508818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).