3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole

C46H36N4 — CID 145381358

IUPAC3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole
SMILESCN1C(c2ccccc2)=c2ccccc2=NC1N1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2C=CC=CC21C
InChIInChI=1S/C46H36N4/c1-46-28-14-13-21-39(46)38-30-33(32-24-26-42-37(29-32)35-19-10-12-23-41(35)49(42)34-17-7-4-8-18-34)25-27-43(38)50(46)45-47-40-22-11-9-20-36(40)44(48(45)2)31-15-5-3-6-16-31/h3-30,39,45H,1-2H3
InChIKeyOBXPAJKVDXMLMN-UHFFFAOYSA-N
MW644.82 g/mol
LogP8.94
Rot. Bonds4

About 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole

3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole (PubChem CID 145381358) has the molecular formula C46H36N4 and a molecular weight of 644.82 g/mol. Its IUPAC name is 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole
PubChem CID145381358
Molecular FormulaC46H36N4
Molecular Weight644.82 g/mol
Exact Mass644.29
IUPAC Name3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole
SMILESCN1C(c2ccccc2)=c2ccccc2=NC1N1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2C=CC=CC21C
InChIInChI=1S/C46H36N4/c1-46-28-14-13-21-39(46)38-30-33(32-24-26-42-37(29-32)35-19-10-12-23-41(35)49(42)34-17-7-4-8-18-34)25-27-43(38)50(46)45-47-40-22-11-9-20-36(40)44(48(45)2)31-15-5-3-6-16-31/h3-30,39,45H,1-2H3
InChIKeyOBXPAJKVDXMLMN-UHFFFAOYSA-N
XLogP8.94
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
CID 147834025
3-[9-[3-[3-[5-[3-[8a-methyl-9-(2-phenylphenyl)-4bH-carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]phenyl]phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 163664569
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole
CID 70912403
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]-8a-methyl-4bH-carbazole-3-carboxylic acid
CID 163728722
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093

Frequently Asked Questions

What is the IUPAC name of 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole (CID 145381358) is 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole is CN1C(c2ccccc2)=c2ccccc2=NC1N1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2C=CC=CC21C.
What is the InChIKey of 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is OBXPAJKVDXMLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4/c1-46-28-14-13-21-39(46)38-30-33(32-24-26-42-37(29-32)35-19-10-12-23-41(35)49(42)34-17-7-4-8-18-34)25-27-43(38)50(46)45-47-40-22-11-9-20-36(40)44(48(45)2)31-15-5-3-6-16-31/h3-30,39,45H,1-2H3.
What are the key properties of 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole?
3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 644.82 g/mol, XLogP of 8.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8a-methyl-9-(3-methyl-4-phenyl-2H-quinazolin-2-yl)-4bH-carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 145381358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).