3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

C130H86N10OS — CID 161282995

IUPAC3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC(C)(C)c1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)nc2ccccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C44H27N3O.C44H27N3S.C42H32N4/c2*1-3-11-28(12-4-1)30-19-22-39-35(25-30)36-26-31(32-21-24-42-37(27-32)33-15-8-10-18-41(33)48-42)20-23-40(36)47(39)44-45-38-17-9-7-16-34(38)43(46-44)29-13-5-2-6-14-29;1-42(2,3)40-32-17-7-10-18-35(32)43-41(44-40)46-37-20-12-9-16-31(37)34-26-28(22-24-39(34)46)27-21-23-38-33(25-27)30-15-8-11-19-36(30)45(38)29-13-5-4-6-14-29/h2*1-27H;4-26H,1-3H3
InChIKeyVFIKQEAQIJOXOZ-UHFFFAOYSA-N
MW1836.25 g/mol
LogP34.51
Rot. Bonds11

About 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 161282995) has the molecular formula C130H86N10OS and a molecular weight of 1836.25 g/mol. Its IUPAC name is 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID161282995
Molecular FormulaC130H86N10OS
Molecular Weight1836.25 g/mol
Exact Mass1834.67
IUPAC Name3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC(C)(C)c1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)nc2ccccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C44H27N3O.C44H27N3S.C42H32N4/c2*1-3-11-28(12-4-1)30-19-22-39-35(25-30)36-26-31(32-21-24-42-37(27-32)33-15-8-10-18-41(33)48-42)20-23-40(36)47(39)44-45-38-17-9-7-16-34(38)43(46-44)29-13-5-2-6-14-29;1-42(2,3)40-32-17-7-10-18-35(32)43-41(44-40)46-37-20-12-9-16-31(37)34-26-28(22-24-39(34)46)27-21-23-38-33(25-27)30-15-8-11-19-36(30)45(38)29-13-5-4-6-14-29/h2*1-27H;4-26H,1-3H3
InChIKeyVFIKQEAQIJOXOZ-UHFFFAOYSA-N
XLogP34.51
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.25
LogP ≤ 534.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
CID 139315619
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 138475168
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
5-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-dibenzothiophen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenyl-5-[9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazol-2-yl]benzo[a]carbazole
CID 162105305
CID 160619323
CID 160619323
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (CID 161282995) is 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is CC(C)(C)c1nc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)nc2ccccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is VFIKQEAQIJOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O.C44H27N3S.C42H32N4/c2*1-3-11-28(12-4-1)30-19-22-39-35(25-30)36-26-31(32-21-24-42-37(27-32)33-15-8-10-18-41(33)48-42)20-23-40(36)47(39)44-45-38-17-9-7-16-34(38)43(46-44)29-13-5-2-6-14-29;1-42(2,3)40-32-17-7-10-18-35(32)43-41(44-40)46-37-20-12-9-16-31(37)34-26-28(22-24-39(34)46)27-21-23-38-33(25-27)30-15-8-11-19-36(30)45(38)29-13-5-4-6-14-29/h2*1-27H;4-26H,1-3H3.
What are the key properties of 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 1836.25 g/mol, XLogP of 34.51, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 161282995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).