N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine

C105H67N5O — CID 161481736

IUPACN-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
SMILESN#Cc1ccc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c3oc3ccccc34)cccc21.c1cncc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C37H23NO.C36H24N2.C32H20N2/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)37(28)30-18-7-3-14-27(30)35-31(37)19-10-20-32(35)38-33-21-9-15-26-25-13-4-8-22-34(25)39-36(26)33;1-4-13-30-27(10-1)28-11-2-5-14-31(28)36(30)32-15-6-3-12-29(32)35-33(36)16-7-17-34(35)38-26-20-18-24(19-21-26)25-9-8-22-37-23-25;33-20-21-16-18-22(19-17-21)34-30-15-7-14-29-31(30)25-10-3-6-13-28(25)32(29)26-11-4-1-8-23(26)24-9-2-5-12-27(24)32/h1-22,38H;1-23,38H;1-19,34H
InChIKeyWELIZXCAPOELHG-UHFFFAOYSA-N
MW1414.73 g/mol
LogP26.15
Rot. Bonds7

About N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine

N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine (PubChem CID 161481736) has the molecular formula C105H67N5O and a molecular weight of 1414.73 g/mol. Its IUPAC name is N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
PubChem CID161481736
Molecular FormulaC105H67N5O
Molecular Weight1414.73 g/mol
Exact Mass1413.53
IUPAC NameN-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
SMILESN#Cc1ccc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c3oc3ccccc34)cccc21.c1cncc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C37H23NO.C36H24N2.C32H20N2/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)37(28)30-18-7-3-14-27(30)35-31(37)19-10-20-32(35)38-33-21-9-15-26-25-13-4-8-22-34(25)39-36(26)33;1-4-13-30-27(10-1)28-11-2-5-14-31(28)36(30)32-15-6-3-12-29(32)35-33(36)16-7-17-34(35)38-26-20-18-24(19-21-26)25-9-8-22-37-23-25;33-20-21-16-18-22(19-17-21)34-30-15-7-14-29-31(30)25-10-3-6-13-28(25)32(29)26-11-4-1-8-23(26)24-9-2-5-12-27(24)32/h1-22,38H;1-23,38H;1-19,34H
InChIKeyWELIZXCAPOELHG-UHFFFAOYSA-N
XLogP26.15
TPSA85.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001414.73
LogP ≤ 526.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
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-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-pyridin-3-ylphenyl)aniline
CID 162046042
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
CID 177114189
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine (CID 161481736) is N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine is N#Cc1ccc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3cccc4c3oc3ccccc34)cccc21.c1cncc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c1.
What is the InChIKey of N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
The InChIKey is WELIZXCAPOELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO.C36H24N2.C32H20N2/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)37(28)30-18-7-3-14-27(30)35-31(37)19-10-20-32(35)38-33-21-9-15-26-25-13-4-8-22-34(25)39-36(26)33;1-4-13-30-27(10-1)28-11-2-5-14-31(28)36(30)32-15-6-3-12-29(32)35-33(36)16-7-17-34(35)38-26-20-18-24(19-21-26)25-9-8-22-37-23-25;33-20-21-16-18-22(19-17-21)34-30-15-7-14-29-31(30)25-10-3-6-13-28(25)32(29)26-11-4-1-8-23(26)24-9-2-5-12-27(24)32/h1-22,38H;1-23,38H;1-19,34H.
What are the key properties of N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine?
N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine has a molecular weight of 1414.73 g/mol, XLogP of 26.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 161481736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).