9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C169H120N10OS — CID 165034753

IUPAC9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC(C)(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(C)(C)C)cc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3oc3ccccc34)cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3sc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C65H54N4.C52H33N3O.C52H33N3S/c1-64(2,3)52-33-27-45(28-34-52)54-41-51(63-67-61(47-23-15-9-16-24-47)66-62(68-63)48-25-17-10-18-26-48)42-55(46-29-35-53(36-30-46)65(4,5)6)60(54)69-58-37-31-49(43-19-11-7-12-20-43)39-56(58)57-40-50(32-38-59(57)69)44-21-13-8-14-22-44;2*1-5-17-34(18-6-1)38-29-30-46-44(31-38)40-25-13-15-27-45(40)55(46)50-42(35-19-7-2-8-20-35)32-39(33-43(50)36-21-9-3-10-22-36)48-51-49(41-26-14-16-28-47(41)56-51)54-52(53-48)37-23-11-4-12-24-37/h7-42H,1-6H3;2*1-33H
InChIKeyNFCLWLZHRCNAKU-UHFFFAOYSA-N
MW2338.95 g/mol
LogP45.32
Rot. Bonds20

About 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 165034753) has the molecular formula C169H120N10OS and a molecular weight of 2338.95 g/mol. Its IUPAC name is 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID165034753
Molecular FormulaC169H120N10OS
Molecular Weight2338.95 g/mol
Exact Mass2336.94
IUPAC Name9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC(C)(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(C)(C)C)cc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3oc3ccccc34)cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3sc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C65H54N4.C52H33N3O.C52H33N3S/c1-64(2,3)52-33-27-45(28-34-52)54-41-51(63-67-61(47-23-15-9-16-24-47)66-62(68-63)48-25-17-10-18-26-48)42-55(46-29-35-53(36-30-46)65(4,5)6)60(54)69-58-37-31-49(43-19-11-7-12-20-43)39-56(58)57-40-50(32-38-59(57)69)44-21-13-8-14-22-44;2*1-5-17-34(18-6-1)38-29-30-46-44(31-38)40-25-13-15-27-45(40)55(46)50-42(35-19-7-2-8-20-35)32-39(33-43(50)36-21-9-3-10-22-36)48-51-49(41-26-14-16-28-47(41)56-51)54-52(53-48)37-23-11-4-12-24-37/h7-42H,1-6H3;2*1-33H
InChIKeyNFCLWLZHRCNAKU-UHFFFAOYSA-N
XLogP45.32
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.95
LogP ≤ 545.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159618847
4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146281158
2-(4-phenylphenyl)-4-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158895567
4-[4-(3,6-ditert-butylcarbazol-9-yl)-3-phenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 140903068
4-[3,5-diphenyl-4-(1,3,6-tritert-butylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146280712
24-[2,6-diphenyl-4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]-11-phenyl-15-oxa-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 146280907
4-[4-(3,6-dimethylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146281079
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 162780993
4-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[4-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[4-(6-carbazol-9-yl-2-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 165109642
4-phenyl-2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158384659
4-[4-(3,6-diisocyanocarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 153301165
2,4-bis(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 134399270

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 165034753) is 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is CC(C)(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(C)(C)C)cc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3oc3ccccc34)cc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3sc3ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is NFCLWLZHRCNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H54N4.C52H33N3O.C52H33N3S/c1-64(2,3)52-33-27-45(28-34-52)54-41-51(63-67-61(47-23-15-9-16-24-47)66-62(68-63)48-25-17-10-18-26-48)42-55(46-29-35-53(36-30-46)65(4,5)6)60(54)69-58-37-31-49(43-19-11-7-12-20-43)39-56(58)57-40-50(32-38-59(57)69)44-21-13-8-14-22-44;2*1-5-17-34(18-6-1)38-29-30-46-44(31-38)40-25-13-15-27-45(40)55(46)50-42(35-19-7-2-8-20-35)32-39(33-43(50)36-21-9-3-10-22-36)48-51-49(41-26-14-16-28-47(41)56-51)54-52(53-48)37-23-11-4-12-24-37/h7-42H,1-6H3;2*1-33H.
What are the key properties of 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2338.95 g/mol, XLogP of 45.32, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 165034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).