4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C96H69FN4 — CID 158216881

IUPAC4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESFc1ccc(Nc2ccccc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3cccc4ccccc34)cc21
InChIInChI=1S/C37H25N.C35H23N.C12H10FN.C12H11N/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)38-28-22-23-32-31-14-6-9-17-35(31)37(36(32)24-28)33-15-7-4-12-29(33)30-13-5-8-16-34(30)37;1-2-12-25-23(10-1)11-9-19-34(25)36-24-20-21-29-28-15-5-8-18-32(28)35(33(29)22-24)30-16-6-3-13-26(30)27-14-4-7-17-31(27)35;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-24,38H;1-22,36H;1-9,14H;1-10,13H
InChIKeyGCTMKPJEKVXVLC-UHFFFAOYSA-N
MW1297.63 g/mol
LogP25.37
Rot. Bonds9

About 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158216881) has the molecular formula C96H69FN4 and a molecular weight of 1297.63 g/mol. Its IUPAC name is 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID158216881
Molecular FormulaC96H69FN4
Molecular Weight1297.63 g/mol
Exact Mass1296.55
IUPAC Name4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESFc1ccc(Nc2ccccc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3cccc4ccccc34)cc21
InChIInChI=1S/C37H25N.C35H23N.C12H10FN.C12H11N/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)38-28-22-23-32-31-14-6-9-17-35(31)37(36(32)24-28)33-15-7-4-12-29(33)30-13-5-8-16-34(30)37;1-2-12-25-23(10-1)11-9-19-34(25)36-24-20-21-29-28-15-5-8-18-32(28)35(33(29)22-24)30-16-6-3-13-26(30)27-14-4-7-17-31(27)35;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-24,38H;1-22,36H;1-9,14H;1-10,13H
InChIKeyGCTMKPJEKVXVLC-UHFFFAOYSA-N
XLogP25.37
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.63
LogP ≤ 525.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

2-(naphthalen-1-ylmethyl)-9,9-diphenylfluorene;1-(naphthalen-2-ylmethyl)naphthalene;2-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene];N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenylfluoren-2-amine
CID 158247118
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-phenyl-3-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 138568457
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
CID 167036333
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
7-ethenyl-9,9-dimethyl-N-[4-[4-(naphthalen-1-ylamino)phenyl]phenyl]fluoren-2-amine
CID 142734200

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 158216881) is 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is Fc1ccc(Nc2ccccc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3cccc4ccccc34)cc21.
What is the InChIKey of 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is GCTMKPJEKVXVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N.C35H23N.C12H10FN.C12H11N/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)38-28-22-23-32-31-14-6-9-17-35(31)37(36(32)24-28)33-15-7-4-12-29(33)30-13-5-8-16-34(30)37;1-2-12-25-23(10-1)11-9-19-34(25)36-24-20-21-29-28-15-5-8-18-32(28)35(33(29)22-24)30-16-6-3-13-26(30)27-14-4-7-17-31(27)35;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-24,38H;1-22,36H;1-9,14H;1-10,13H.
What are the key properties of 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1297.63 g/mol, XLogP of 25.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 158216881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).