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

C117H87N5OS — CID 161133329

IUPAC3-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
SMILESc1ccc(-c2ccc(Cc3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ncc(Nc3cccc4ccccc34)cn2)cc1.c1ccc(Cc2ccc3c(c2)sc2ccccc23)cc1.c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C37H27N.C25H18O.C20H15N3.C19H14S.C16H13N/c1-4-12-27(13-5-1)28-20-22-31(23-21-28)38-32-24-25-36-34(26-32)33-18-10-11-19-35(33)37(36,29-14-6-2-7-15-29)30-16-8-3-9-17-30;1-2-6-20(7-3-1)21-13-10-18(11-14-21)16-19-12-15-23-22-8-4-5-9-24(22)26-25(23)17-19;1-2-8-16(9-3-1)20-21-13-17(14-22-20)23-19-12-6-10-15-7-4-5-11-18(15)19;1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-26,38H;1-15,17H,16H2;1-14,23H;1-11,13H,12H2;1-12,17H
InChIKeyUMMCMXLNEPUDHJ-UHFFFAOYSA-N
MW1611.08 g/mol
LogP31.57
Rot. Bonds15

About 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

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 (PubChem CID 161133329) has the molecular formula C117H87N5OS and a molecular weight of 1611.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161133329
Molecular FormulaC117H87N5OS
Molecular Weight1611.08 g/mol
Exact Mass1609.66
IUPAC Name3-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
SMILESc1ccc(-c2ccc(Cc3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ncc(Nc3cccc4ccccc34)cn2)cc1.c1ccc(Cc2ccc3c(c2)sc2ccccc23)cc1.c1ccc(Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C37H27N.C25H18O.C20H15N3.C19H14S.C16H13N/c1-4-12-27(13-5-1)28-20-22-31(23-21-28)38-32-24-25-36-34(26-32)33-18-10-11-19-35(33)37(36,29-14-6-2-7-15-29)30-16-8-3-9-17-30;1-2-6-20(7-3-1)21-13-10-18(11-14-21)16-19-12-15-23-22-8-4-5-9-24(22)26-25(23)17-19;1-2-8-16(9-3-1)20-21-13-17(14-22-20)23-19-12-6-10-15-7-4-5-11-18(15)19;1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-26,38H;1-15,17H,16H2;1-14,23H;1-11,13H,12H2;1-12,17H
InChIKeyUMMCMXLNEPUDHJ-UHFFFAOYSA-N
XLogP31.57
TPSA75.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001611.08
LogP ≤ 531.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
CID 166924260
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167177443
3-[3-naphthalen-2-yl-5-(4-naphthalen-2-ylphenyl)phenyl]-7-(9-phenylfluoren-9-yl)dibenzofuran;3-(3-naphthalen-2-yl-5-phenylphenyl)-7-(9-phenylfluoren-9-yl)dibenzofuran;2-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163668623
8-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 168793860
N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 177121667

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(Cc3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ncc(Nc3cccc4ccccc34)cn2)cc1.c1ccc(Cc2ccc3c(c2)sc2ccccc23)cc1.c1ccc(Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is UMMCMXLNEPUDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N.C25H18O.C20H15N3.C19H14S.C16H13N/c1-4-12-27(13-5-1)28-20-22-31(23-21-28)38-32-24-25-36-34(26-32)33-18-10-11-19-35(33)37(36,29-14-6-2-7-15-29)30-16-8-3-9-17-30;1-2-6-20(7-3-1)21-13-10-18(11-14-21)16-19-12-15-23-22-8-4-5-9-24(22)26-25(23)17-19;1-2-8-16(9-3-1)20-21-13-17(14-22-20)23-19-12-6-10-15-7-4-5-11-18(15)19;1-2-6-14(7-3-1)12-15-10-11-17-16-8-4-5-9-18(16)20-19(17)13-15;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-26,38H;1-15,17H,16H2;1-14,23H;1-11,13H,12H2;1-12,17H.
What are the key properties of 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?
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 has a molecular weight of 1611.08 g/mol, XLogP of 31.57, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161133329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).