5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole

C33H20N4 — CID 146185344

IUPAC5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
SMILESc1cncc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3c2ccc2ccccc23)c1
InChIInChI=1S/C33H20N4/c1-2-10-23-19-30-28(18-22(23)9-1)26-13-5-6-14-29(26)37(30)33-35-31(24-11-7-17-34-20-24)27-16-15-21-8-3-4-12-25(21)32(27)36-33/h1-20H
InChIKeySAFVWDPSXWOABA-UHFFFAOYSA-N
MW472.55 g/mol
LogP8.10
Rot. Bonds2

About 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole

5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole (PubChem CID 146185344) has the molecular formula C33H20N4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
PubChem CID146185344
Molecular FormulaC33H20N4
Molecular Weight472.55 g/mol
Exact Mass472.17
IUPAC Name5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
SMILESc1cncc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3c2ccc2ccccc23)c1
InChIInChI=1S/C33H20N4/c1-2-10-23-19-30-28(18-22(23)9-1)26-13-5-6-14-29(26)37(30)33-35-31(24-11-7-17-34-20-24)27-16-15-21-8-3-4-12-25(21)32(27)36-33/h1-20H
InChIKeySAFVWDPSXWOABA-UHFFFAOYSA-N
XLogP8.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

16-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718639
5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 166889749
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
2-benzo[c]carbazol-7-yl-5-(4-phenylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146375723
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline
CID 121401988
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327
3-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
CID 130259647
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159
22-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621480

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole (CID 146185344) is 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole is c1cncc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3c2ccc2ccccc23)c1.
What is the InChIKey of 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
The InChIKey is SAFVWDPSXWOABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4/c1-2-10-23-19-30-28(18-22(23)9-1)26-13-5-6-14-29(26)37(30)33-35-31(24-11-7-17-34-20-24)27-16-15-21-8-3-4-12-25(21)32(27)36-33/h1-20H.
What are the key properties of 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole has a molecular weight of 472.55 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146185344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).