3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine

C130H96N4O2S2 — CID 159535610

IUPAC3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Cc3ccccc3)cc21.c1ccc(Cc2ccc3c(c2)oc2ccccc23)cc1.c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1.c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.c1ccc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(Nc2cccc3c2sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C31H21N.C22H15NS.C22H20.C19H14O.C18H13NO.C18H13NS/c1-2-11-21(12-3-1)32-29-20-10-19-28-30(29)24-15-6-9-18-27(24)31(28)25-16-7-4-13-22(25)23-14-5-8-17-26(23)31;1-2-8-16(9-3-1)23-20-12-6-11-18-19-14-13-15-7-4-5-10-17(15)21(19)24-22(18)20;1-22(2)20-11-7-6-10-18(20)19-13-12-17(15-21(19)22)14-16-8-4-3-5-9-16;1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;2*1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-20,32H;1-14,23H;3-13,15H,14H2,1-2H3;1-11,13H,12H2;2*1-12,19H
InChIKeyMDNUFFNLCLKRCQ-UHFFFAOYSA-N
MW1810.36 g/mol
LogP36.61
Rot. Bonds12

About 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine

3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 159535610) has the molecular formula C130H96N4O2S2 and a molecular weight of 1810.36 g/mol. Its IUPAC name is 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine
PubChem CID159535610
Molecular FormulaC130H96N4O2S2
Molecular Weight1810.36 g/mol
Exact Mass1808.70
IUPAC Name3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Cc3ccccc3)cc21.c1ccc(Cc2ccc3c(c2)oc2ccccc23)cc1.c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1.c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.c1ccc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(Nc2cccc3c2sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C31H21N.C22H15NS.C22H20.C19H14O.C18H13NO.C18H13NS/c1-2-11-21(12-3-1)32-29-20-10-19-28-30(29)24-15-6-9-18-27(24)31(28)25-16-7-4-13-22(25)23-14-5-8-17-26(23)31;1-2-8-16(9-3-1)23-20-12-6-11-18-19-14-13-15-7-4-5-10-17(15)21(19)24-22(18)20;1-22(2)20-11-7-6-10-18(20)19-13-12-17(15-21(19)22)14-16-8-4-3-5-9-16;1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;2*1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-20,32H;1-14,23H;3-13,15H,14H2,1-2H3;1-11,13H,12H2;2*1-12,19H
InChIKeyMDNUFFNLCLKRCQ-UHFFFAOYSA-N
XLogP36.61
TPSA74.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001810.36
LogP ≤ 536.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 171444458
3-benzyldibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-naphthalen-1-yl-2-phenylpyrimidin-5-amine;N-phenylnaphthalen-2-amine;3-[(4-phenylphenyl)methyl]dibenzofuran
CID 161133329
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
2-(dibenzofuran-2-ylmethyl)dibenzofuran;4-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;2-(dibenzothiophen-2-ylmethyl)dibenzothiophene;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;2-(naphthalen-1-ylmethyl)dibenzothiophene;2-[(4-phenylphenyl)methyl]dibenzofuran;2-[3-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene
CID 163460209
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
CID 177121851
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
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-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225

Frequently Asked Questions

What is the IUPAC name of 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine (CID 159535610) is 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(Cc3ccccc3)cc21.c1ccc(Cc2ccc3c(c2)oc2ccccc23)cc1.c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1.c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.c1ccc(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(Nc2cccc3c2sc2c4ccccc4ccc32)cc1.
What is the InChIKey of 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is MDNUFFNLCLKRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N.C22H15NS.C22H20.C19H14O.C18H13NO.C18H13NS/c1-2-11-21(12-3-1)32-29-20-10-19-28-30(29)24-15-6-9-18-27(24)31(28)25-16-7-4-13-22(25)23-14-5-8-17-26(23)31;1-2-8-16(9-3-1)23-20-12-6-11-18-19-14-13-15-7-4-5-10-17(15)21(19)24-22(18)20;1-22(2)20-11-7-6-10-18(20)19-13-12-17(15-21(19)22)14-16-8-4-3-5-9-16;1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;2*1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-20,32H;1-14,23H;3-13,15H,14H2,1-2H3;1-11,13H,12H2;2*1-12,19H.
What are the key properties of 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine?
3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1810.36 g/mol, XLogP of 36.61, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 159535610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).