4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole

C140H116N2S6 — CID 161374046

IUPAC4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1.CC(C)(C)c1c2c(cc3sc4cccc(-c5ccccc5)c4c13)sc1cccc(-c3ccccc3)c12.CC(C)(C)c1c2c(cc3sc4ccccc4c13)sc1ccccc12.CC(C)(C)c1c2sc3ccccc3c2cc2c1sc1ccccc12.CC(C)(C)c1cccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1
InChIInChI=1S/C34H29N.C34H26S2.C28H25N.2C22H18S2/c1-34(2,3)33-28(25-16-9-5-10-17-25)22-23-30-32(33)31-27(24-14-7-4-8-15-24)20-13-21-29(31)35(30)26-18-11-6-12-19-26;1-34(2,3)33-31-27(35-25-18-10-16-23(29(25)31)21-12-6-4-7-13-21)20-28-32(33)30-24(17-11-19-26(30)36-28)22-14-8-5-9-15-22;1-28(2,3)23-17-11-19-25-27(23)26-22(20-12-6-4-7-13-20)16-10-18-24(26)29(25)21-14-8-5-9-15-21;1-22(2,3)19-20-15(13-8-4-6-10-17(13)23-20)12-16-14-9-5-7-11-18(14)24-21(16)19;1-22(2,3)21-19-13-8-4-6-10-15(13)23-17(19)12-18-20(21)14-9-5-7-11-16(14)24-18/h4-23H,1-3H3;4-20H,1-3H3;4-19H,1-3H3;2*4-12H,1-3H3
InChIKeyVQVPESVLIRDZQM-UHFFFAOYSA-N
MW2018.88 g/mol
LogP43.66
Rot. Bonds7

About 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole

4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole (PubChem CID 161374046) has the molecular formula C140H116N2S6 and a molecular weight of 2018.88 g/mol. Its IUPAC name is 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole
PubChem CID161374046
Molecular FormulaC140H116N2S6
Molecular Weight2018.88 g/mol
Exact Mass2016.75
IUPAC Name4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1.CC(C)(C)c1c2c(cc3sc4cccc(-c5ccccc5)c4c13)sc1cccc(-c3ccccc3)c12.CC(C)(C)c1c2c(cc3sc4ccccc4c13)sc1ccccc12.CC(C)(C)c1c2sc3ccccc3c2cc2c1sc1ccccc12.CC(C)(C)c1cccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1
InChIInChI=1S/C34H29N.C34H26S2.C28H25N.2C22H18S2/c1-34(2,3)33-28(25-16-9-5-10-17-25)22-23-30-32(33)31-27(24-14-7-4-8-15-24)20-13-21-29(31)35(30)26-18-11-6-12-19-26;1-34(2,3)33-31-27(35-25-18-10-16-23(29(25)31)21-12-6-4-7-13-21)20-28-32(33)30-24(17-11-19-26(30)36-28)22-14-8-5-9-15-22;1-28(2,3)23-17-11-19-25-27(23)26-22(20-12-6-4-7-13-20)16-10-18-24(26)29(25)21-14-8-5-9-15-21;1-22(2,3)19-20-15(13-8-4-6-10-17(13)23-20)12-16-14-9-5-7-11-18(14)24-21(16)19;1-22(2,3)21-19-13-8-4-6-10-15(13)23-17(19)12-18-20(21)14-9-5-7-11-16(14)24-18/h4-23H,1-3H3;4-20H,1-3H3;4-19H,1-3H3;2*4-12H,1-3H3
InChIKeyVQVPESVLIRDZQM-UHFFFAOYSA-N
XLogP43.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002018.88
LogP ≤ 543.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole with MolForge

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Related Compounds

4-tert-butyl-5-[3-tert-butyl-5-[1-[4-[4-tert-butyl-5-(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]-2-methylpropan-2-yl]phenyl]-3,9-diphenylcarbazole
CID 167289522
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
1-tert-butyl-2-(6-tert-butyldibenzothiophen-3-yl)dibenzothiophene
CID 138708079
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
16-(4-dibenzothiophen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 147064264
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole?
The IUPAC name of 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole (CID 161374046) is 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole.
What is the SMILES notation for 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole?
The canonical SMILES for 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole is CC(C)(C)c1c(-c2ccccc2)ccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1.CC(C)(C)c1c2c(cc3sc4cccc(-c5ccccc5)c4c13)sc1cccc(-c3ccccc3)c12.CC(C)(C)c1c2c(cc3sc4ccccc4c13)sc1ccccc12.CC(C)(C)c1c2sc3ccccc3c2cc2c1sc1ccccc12.CC(C)(C)c1cccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1.
What is the InChIKey of 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole?
The InChIKey is VQVPESVLIRDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N.C34H26S2.C28H25N.2C22H18S2/c1-34(2,3)33-28(25-16-9-5-10-17-25)22-23-30-32(33)31-27(24-14-7-4-8-15-24)20-13-21-29(31)35(30)26-18-11-6-12-19-26;1-34(2,3)33-31-27(35-25-18-10-16-23(29(25)31)21-12-6-4-7-13-21)20-28-32(33)30-24(17-11-19-26(30)36-28)22-14-8-5-9-15-22;1-28(2,3)23-17-11-19-25-27(23)26-22(20-12-6-4-7-13-20)16-10-18-24(26)29(25)21-14-8-5-9-15-21;1-22(2,3)19-20-15(13-8-4-6-10-17(13)23-20)12-16-14-9-5-7-11-18(14)24-21(16)19;1-22(2,3)21-19-13-8-4-6-10-15(13)23-17(19)12-18-20(21)14-9-5-7-11-16(14)24-18/h4-23H,1-3H3;4-20H,1-3H3;4-19H,1-3H3;2*4-12H,1-3H3.
What are the key properties of 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole?
4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole has a molecular weight of 2018.88 g/mol, XLogP of 43.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,9-diphenylcarbazole;2-tert-butyl-5,19-diphenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;2-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;12-tert-butyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3,5,9-triphenylcarbazole is sourced from PubChem (CID 161374046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).