9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole

C27H23N3 — CID 145335068

IUPAC9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole
SMILESCc1ccc2c3ccccc3n(C3=NC4C=CC=CC4C(C4=CC=CCC4)=N3)c2c1
InChIInChI=1S/C27H23N3/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-28-23-13-7-5-12-22(23)26(29-27)19-9-3-2-4-10-19/h2-3,5-9,11-17,22-23H,4,10H2,1H3
InChIKeyGGTLDMHOMXGOLU-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.15
Rot. Bonds1

About 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole

9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole (PubChem CID 145335068) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole.

Molecular Properties

Compound Name9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole
PubChem CID145335068
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC Name9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole
SMILESCc1ccc2c3ccccc3n(C3=NC4C=CC=CC4C(C4=CC=CCC4)=N3)c2c1
InChIInChI=1S/C27H23N3/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-28-23-13-7-5-12-22(23)26(29-27)19-9-3-2-4-10-19/h2-3,5-9,11-17,22-23H,4,10H2,1H3
InChIKeyGGTLDMHOMXGOLU-UHFFFAOYSA-N
XLogP6.15
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4a,10a-dihydrophenoxazin-10-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(4-methylphenyl)carbazol-2-amine
CID 130250529
7,7-dimethyl-12-[4-(4-phenylphenyl)-4a,8a-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
CID 126627646
2-methyl-9-phenylcarbazole
CID 59552741
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
CID 170375447
3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole
CID 146359999
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 130184198
2-[1-(9-cyclohexa-1,3-dien-1-ylcarbazol-1-yl)-6-methylcarbazol-9-yl]benzonitrile
CID 146181936
10'-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,2,4b,8a-tetrahydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,18-octaene]
CID 137383558
2-cyclohexa-1,5-dien-1-yl-3-[4-(10-cyclohexa-1,3-dien-1-yl-2-methylanthracen-9-yl)phenyl]-1,2,3a,7a-tetrahydrobenzimidazole
CID 175611681
3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236515
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole?
The IUPAC name of 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole (CID 145335068) is 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole.
What is the SMILES notation for 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole?
The canonical SMILES for 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole is Cc1ccc2c3ccccc3n(C3=NC4C=CC=CC4C(C4=CC=CCC4)=N3)c2c1.
What is the InChIKey of 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole?
The InChIKey is GGTLDMHOMXGOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-18-15-16-21-20-11-6-8-14-24(20)30(25(21)17-18)27-28-23-13-7-5-12-22(23)26(29-27)19-9-3-2-4-10-19/h2-3,5-9,11-17,22-23H,4,10H2,1H3.
What are the key properties of 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole?
9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole has a molecular weight of 389.50 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-1,3-dien-1-yl-4a,8a-dihydroquinazolin-2-yl)-2-methylcarbazole is sourced from PubChem (CID 145335068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).