9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole

C44H27N3 — CID 177109125

IUPAC9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C44H27N3/c1-2-14-30-29(13-1)31-15-3-4-17-33(31)35-26-25-28(27-39(35)34-18-6-5-16-32(30)34)43-38-21-7-10-22-40(38)45-44(46-43)47-41-23-11-8-19-36(41)37-20-9-12-24-42(37)47/h1-27H/b31-29-,32-30-,35-33-,39-34-
InChIKeyOIZSMWHMIZYWQM-GBPFCTIGSA-N
MW597.72 g/mol
LogP11.38
Rot. Bonds2

About 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole

9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole (PubChem CID 177109125) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
PubChem CID177109125
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C44H27N3/c1-2-14-30-29(13-1)31-15-3-4-17-33(31)35-26-25-28(27-39(35)34-18-6-5-16-32(30)34)43-38-21-7-10-22-40(38)45-44(46-43)47-41-23-11-8-19-36(41)37-20-9-12-24-42(37)47/h1-27H/b31-29-,32-30-,35-33-,39-34-
InChIKeyOIZSMWHMIZYWQM-GBPFCTIGSA-N
XLogP11.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole
CID 147266430
[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane
CID 88869147
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770146
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
CID 134551656
CID 134551656

Frequently Asked Questions

What is the IUPAC name of 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole?
The IUPAC name of 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole (CID 177109125) is 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole.
What is the SMILES notation for 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole?
The canonical SMILES for 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccccc34)cc1-c1ccccc1-2.
What is the InChIKey of 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole?
The InChIKey is OIZSMWHMIZYWQM-GBPFCTIGSA-N. The full InChI is InChI=1S/C44H27N3/c1-2-14-30-29(13-1)31-15-3-4-17-33(31)35-26-25-28(27-39(35)34-18-6-5-16-32(30)34)43-38-21-7-10-22-40(38)45-44(46-43)47-41-23-11-8-19-36(41)37-20-9-12-24-42(37)47/h1-27H/b31-29-,32-30-,35-33-,39-34-.
What are the key properties of 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole?
9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole has a molecular weight of 597.72 g/mol, XLogP of 11.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole is sourced from PubChem (CID 177109125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).