3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C137H133N3OS — CID 157361059

IUPAC3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/2C37H35N.C31H31N.C16H16O.C16H16S/c1-36(2,3)27-19-21-28(22-20-27)38(35-18-12-10-15-30(35)26-13-7-6-8-14-26)29-23-24-32-31-16-9-11-17-33(31)37(4,5)34(32)25-29;1-36(2,3)28-17-21-30(22-18-28)38(29-19-15-27(16-20-29)26-11-7-6-8-12-26)31-23-24-33-32-13-9-10-14-34(32)37(4,5)35(33)25-31;1-30(2,3)22-15-17-24(18-16-22)32(23-11-7-6-8-12-23)25-19-20-27-26-13-9-10-14-28(26)31(4,5)29(27)21-25;2*1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h2*6-25H,1-5H3;6-21H,1-5H3;2*4-10H,1-3H3
InChIKeyBIQJRDILZBBEIJ-UHFFFAOYSA-N
MW1869.66 g/mol
LogP39.85
Rot. Bonds11

About 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 157361059) has the molecular formula C137H133N3OS and a molecular weight of 1869.66 g/mol. Its IUPAC name is 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID157361059
Molecular FormulaC137H133N3OS
Molecular Weight1869.66 g/mol
Exact Mass1868.02
IUPAC Name3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/2C37H35N.C31H31N.C16H16O.C16H16S/c1-36(2,3)27-19-21-28(22-20-27)38(35-18-12-10-15-30(35)26-13-7-6-8-14-26)29-23-24-32-31-16-9-11-17-33(31)37(4,5)34(32)25-29;1-36(2,3)28-17-21-30(22-18-28)38(29-19-15-27(16-20-29)26-11-7-6-8-12-26)31-23-24-33-32-13-9-10-14-34(32)37(4,5)35(33)25-31;1-30(2,3)22-15-17-24(18-16-22)32(23-11-7-6-8-12-23)25-19-20-27-26-13-9-10-14-28(26)31(4,5)29(27)21-25;2*1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h2*6-25H,1-5H3;6-21H,1-5H3;2*4-10H,1-3H3
InChIKeyBIQJRDILZBBEIJ-UHFFFAOYSA-N
XLogP39.85
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001869.66
LogP ≤ 539.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine;N-(4-phenylphenyl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine;N-phenyl-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 159971574
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049325
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)dibenzofuran-3-amine;N,4-diphenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-3-amine
CID 159942017
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-9,9-bis(4-phenylphenyl)fluoren-2-amine
CID 158372369
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177280961
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 157361059) is 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2-c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is BIQJRDILZBBEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H35N.C31H31N.C16H16O.C16H16S/c1-36(2,3)27-19-21-28(22-20-27)38(35-18-12-10-15-30(35)26-13-7-6-8-14-26)29-23-24-32-31-16-9-11-17-33(31)37(4,5)34(32)25-29;1-36(2,3)28-17-21-30(22-18-28)38(29-19-15-27(16-20-29)26-11-7-6-8-12-26)31-23-24-33-32-13-9-10-14-34(32)37(4,5)35(33)25-31;1-30(2,3)22-15-17-24(18-16-22)32(23-11-7-6-8-12-23)25-19-20-27-26-13-9-10-14-28(26)31(4,5)29(27)21-25;2*1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h2*6-25H,1-5H3;6-21H,1-5H3;2*4-10H,1-3H3.
What are the key properties of 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1869.66 g/mol, XLogP of 39.85, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-tert-butylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 157361059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).