1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole

C36H20ClN3O — CID 146375678

IUPAC1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole
SMILESClc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1
InChIInChI=1S/C36H20ClN3O/c37-28-12-7-14-30-34(28)27-18-21-8-1-2-9-22(21)19-31(27)40(30)36-38-29-13-5-3-11-26(29)35(39-36)23-16-17-25-24-10-4-6-15-32(24)41-33(25)20-23/h1-20H
InChIKeyNLKGKLNNGCCACT-UHFFFAOYSA-N
MW546.03 g/mol
LogP10.10
Rot. Bonds2

About 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole

1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 146375678) has the molecular formula C36H20ClN3O and a molecular weight of 546.03 g/mol. Its IUPAC name is 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID146375678
Molecular FormulaC36H20ClN3O
Molecular Weight546.03 g/mol
Exact Mass545.13
IUPAC Name1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole
SMILESClc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1
InChIInChI=1S/C36H20ClN3O/c37-28-12-7-14-30-34(28)27-18-21-8-1-2-9-22(21)19-31(27)40(30)36-38-29-13-5-3-11-26(29)35(39-36)23-16-17-25-24-10-4-6-15-32(24)41-33(25)20-23/h1-20H
InChIKeyNLKGKLNNGCCACT-UHFFFAOYSA-N
XLogP10.10
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.03
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine
CID 156564191
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285248
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
14-(4-dibenzofuran-3-ylquinazolin-2-yl)-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165797
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
12-(4-dibenzofuran-2-ylquinazolin-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 129149691
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
9-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369955

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole (CID 146375678) is 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole is Clc1cccc2c1c1cc3ccccc3cc1n2-c1nc(-c2ccc3c(c2)oc2ccccc23)c2ccccc2n1.
What is the InChIKey of 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is NLKGKLNNGCCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20ClN3O/c37-28-12-7-14-30-34(28)27-18-21-8-1-2-9-22(21)19-31(27)40(30)36-38-29-13-5-3-11-26(29)35(39-36)23-16-17-25-24-10-4-6-15-32(24)41-33(25)20-23/h1-20H.
What are the key properties of 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole?
1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 546.03 g/mol, XLogP of 10.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).