2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene

C168H161N3OS — CID 158265577

IUPAC2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/2C26H23N.2C25H26.C22H23N.C22H20O.C22H20S/c1-26(2,3)19-13-15-20(16-14-19)27-24-11-7-6-10-22(24)23-17-12-18-8-4-5-9-21(18)25(23)27;1-26(2,3)19-13-15-20(16-14-19)27-23-11-7-6-10-22(23)25-21-9-5-4-8-18(21)12-17-24(25)27;1-24(2,3)19-13-10-17(11-14-19)18-12-15-21-20-8-6-7-9-22(20)25(4,5)23(21)16-18;1-24(2,3)19-12-14-21-20-13-11-18(17-9-7-6-8-10-17)15-22(20)25(4,5)23(21)16-19;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)23-21(19)14-16/h2*4-17H,1-3H3;2*6-16H,1-5H3;4-17H,1-3H3;2*4-14H,1-3H3
InChIKeyGIJZHWNYWXOOCB-UHFFFAOYSA-N
MW2270.22 g/mol
LogP48.41
Rot. Bonds9

About 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene

2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene (PubChem CID 158265577) has the molecular formula C168H161N3OS and a molecular weight of 2270.22 g/mol. Its IUPAC name is 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene
PubChem CID158265577
Molecular FormulaC168H161N3OS
Molecular Weight2270.22 g/mol
Exact Mass2268.24
IUPAC Name2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/2C26H23N.2C25H26.C22H23N.C22H20O.C22H20S/c1-26(2,3)19-13-15-20(16-14-19)27-24-11-7-6-10-22(24)23-17-12-18-8-4-5-9-21(18)25(23)27;1-26(2,3)19-13-15-20(16-14-19)27-23-11-7-6-10-22(23)25-21-9-5-4-8-18(21)12-17-24(25)27;1-24(2,3)19-13-10-17(11-14-19)18-12-15-21-20-8-6-7-9-22(20)25(4,5)23(21)16-18;1-24(2,3)19-12-14-21-20-13-11-18(17-9-7-6-8-10-17)15-22(20)25(4,5)23(21)16-19;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)23-21(19)14-16/h2*4-17H,1-3H3;2*6-16H,1-5H3;4-17H,1-3H3;2*4-14H,1-3H3
InChIKeyGIJZHWNYWXOOCB-UHFFFAOYSA-N
XLogP48.41
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002270.22
LogP ≤ 548.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene with MolForge

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Related Compounds

1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 159629096
4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-di(dibenzofuran-2-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-di(dibenzothiophen-3-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,4-N,9-N,9-N,15-pentakis-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N,15-triphenyl-4-N,9-N-bis(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N,15-triphenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine
CID 159087544
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
6-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)benzo[b]carbazole;9,9-dimethyl-N-phenyl-N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-10-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(14-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]fluoren-2-amine;6-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)benzo[b]carbazole
CID 159991228
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]-4-(3-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]triphenylen-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]-4-(3-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]aniline
CID 158946992
7-deuterio-N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(6-deuterio-9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160500090
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;11-(4-naphthalen-2-ylphenyl)-N,N-diphenylbenzo[a]carbazol-2-amine
CID 161447502
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene (CID 158265577) is 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene is CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3c4ccccc4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene?
The InChIKey is GIJZHWNYWXOOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H23N.2C25H26.C22H23N.C22H20O.C22H20S/c1-26(2,3)19-13-15-20(16-14-19)27-24-11-7-6-10-22(24)23-17-12-18-8-4-5-9-21(18)25(23)27;1-26(2,3)19-13-15-20(16-14-19)27-23-11-7-6-10-22(23)25-21-9-5-4-8-18(21)12-17-24(25)27;1-24(2,3)19-13-10-17(11-14-19)18-12-15-21-20-8-6-7-9-22(20)25(4,5)23(21)16-18;1-24(2,3)19-12-14-21-20-13-11-18(17-9-7-6-8-10-17)15-22(20)25(4,5)23(21)16-19;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)23-21(19)14-16/h2*4-17H,1-3H3;2*6-16H,1-5H3;4-17H,1-3H3;2*4-14H,1-3H3.
What are the key properties of 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene?
2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene has a molecular weight of 2270.22 g/mol, XLogP of 48.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 158265577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).