2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole

C78H65NS — CID 144614431

IUPAC2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(C(CCc3cc4c(c5ccccc35)-c3ccc(-c5cc(-c6ccccc6)cc(C6CCCCC6)c5)cc3C4(c3ccc(C)cc3)c3ccc(C)cc3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C78H65NS/c1-4-79-73-25-15-13-22-65(73)66-40-33-57(49-74(66)79)63(55-34-42-76-70(46-55)67-23-14-16-26-75(67)80-76)39-32-56-48-72-77(68-24-12-11-21-64(56)68)69-41-31-54(47-71(69)78(72,61-35-27-50(2)28-36-61)62-37-29-51(3)30-38-62)60-44-58(52-17-7-5-8-18-52)43-59(45-60)53-19-9-6-10-20-53/h5,7-8,11-18,21-31,33-38,40-49,53,63H,4,6,9-10,19-20,32,39H2,1-3H3
InChIKeyKAGGDRHALWVCIO-UHFFFAOYSA-N
MW1048.45 g/mol
LogP21.46
Rot. Bonds11

About 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole

2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole (PubChem CID 144614431) has the molecular formula C78H65NS and a molecular weight of 1048.45 g/mol. Its IUPAC name is 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole.

Molecular Properties

Compound Name2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole
PubChem CID144614431
Molecular FormulaC78H65NS
Molecular Weight1048.45 g/mol
Exact Mass1047.48
IUPAC Name2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(C(CCc3cc4c(c5ccccc35)-c3ccc(-c5cc(-c6ccccc6)cc(C6CCCCC6)c5)cc3C4(c3ccc(C)cc3)c3ccc(C)cc3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C78H65NS/c1-4-79-73-25-15-13-22-65(73)66-40-33-57(49-74(66)79)63(55-34-42-76-70(46-55)67-23-14-16-26-75(67)80-76)39-32-56-48-72-77(68-24-12-11-21-64(56)68)69-41-31-54(47-71(69)78(72,61-35-27-50(2)28-36-61)62-37-29-51(3)30-38-62)60-44-58(52-17-7-5-8-18-52)43-59(45-60)53-19-9-6-10-20-53/h5,7-8,11-18,21-31,33-38,40-49,53,63H,4,6,9-10,19-20,32,39H2,1-3H3
InChIKeyKAGGDRHALWVCIO-UHFFFAOYSA-N
XLogP21.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001048.45
LogP ≤ 521.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
CID 144613701
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
14-dibenzothiophen-2-yl-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-4-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-diphenylfluoren-2-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(2-phenylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(3-phenylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(4-phenylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 159722592
3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
CID 59221341
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine
CID 144613859
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582431
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 158582556

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole?
The IUPAC name of 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole (CID 144614431) is 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole.
What is the SMILES notation for 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole?
The canonical SMILES for 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole is CCn1c2ccccc2c2ccc(C(CCc3cc4c(c5ccccc35)-c3ccc(-c5cc(-c6ccccc6)cc(C6CCCCC6)c5)cc3C4(c3ccc(C)cc3)c3ccc(C)cc3)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole?
The InChIKey is KAGGDRHALWVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H65NS/c1-4-79-73-25-15-13-22-65(73)66-40-33-57(49-74(66)79)63(55-34-42-76-70(46-55)67-23-14-16-26-75(67)80-76)39-32-56-48-72-77(68-24-12-11-21-64(56)68)69-41-31-54(47-71(69)78(72,61-35-27-50(2)28-36-61)62-37-29-51(3)30-38-62)60-44-58(52-17-7-5-8-18-52)43-59(45-60)53-19-9-6-10-20-53/h5,7-8,11-18,21-31,33-38,40-49,53,63H,4,6,9-10,19-20,32,39H2,1-3H3.
What are the key properties of 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole?
2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole has a molecular weight of 1048.45 g/mol, XLogP of 21.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole is sourced from PubChem (CID 144614431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).