5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole

C50H37N3O2 — CID 88556599

IUPAC5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCCC(C2=CC=C(c3nc(-n4c5c(c6c7c(ccc64)C4C=CC=CC4O7)C=C(c4cccc6c4oc4ccccc46)CC5)nc4ccccc34)CC2)=C1
InChIInChI=1S/C50H37N3O2/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)47-39-15-4-7-18-41(39)51-50(52-47)53-42-27-25-33(34-16-10-17-37-35-13-5-8-19-44(35)54-48(34)37)29-40(42)46-43(53)28-26-38-36-14-6-9-20-45(36)55-49(38)46/h1-2,4-11,13-21,23,26,28-29,36,45H,3,12,22,24-25,27H2
InChIKeyCAZAHAWKEPNYEY-UHFFFAOYSA-N
MW711.87 g/mol
LogP12.31
Rot. Bonds4

About 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole

5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 88556599) has the molecular formula C50H37N3O2 and a molecular weight of 711.87 g/mol. Its IUPAC name is 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole
PubChem CID88556599
Molecular FormulaC50H37N3O2
Molecular Weight711.87 g/mol
Exact Mass711.29
IUPAC Name5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CCCC(C2=CC=C(c3nc(-n4c5c(c6c7c(ccc64)C4C=CC=CC4O7)C=C(c4cccc6c4oc4ccccc46)CC5)nc4ccccc34)CC2)=C1
InChIInChI=1S/C50H37N3O2/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)47-39-15-4-7-18-41(39)51-50(52-47)53-42-27-25-33(34-16-10-17-37-35-13-5-8-19-44(35)54-48(34)37)29-40(42)46-43(53)28-26-38-36-14-6-9-20-45(36)55-49(38)46/h1-2,4-11,13-21,23,26,28-29,36,45H,3,12,22,24-25,27H2
InChIKeyCAZAHAWKEPNYEY-UHFFFAOYSA-N
XLogP12.31
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.87
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 138633692
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
15-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 118243020
26-(4-dibenzofuran-4-ylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570649
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
5-(4-cyclohexa-1,3-dien-1-ylquinazolin-2-yl)-3-(3,4-dihydrodibenzofuran-4-yl)-[1]benzothiolo[3,2-c]carbazole
CID 67149642
18-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),20,22,26-undecaene
CID 163568569
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-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 129149709
9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole
CID 123729608
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
CID 88994634
5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole
CID 118448517

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole (CID 88556599) is 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole is C1=CCCC(C2=CC=C(c3nc(-n4c5c(c6c7c(ccc64)C4C=CC=CC4O7)C=C(c4cccc6c4oc4ccccc46)CC5)nc4ccccc34)CC2)=C1.
What is the InChIKey of 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CAZAHAWKEPNYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3O2/c1-2-11-30(12-3-1)31-21-23-32(24-22-31)47-39-15-4-7-18-41(39)51-50(52-47)53-42-27-25-33(34-16-10-17-37-35-13-5-8-19-44(35)54-48(34)37)29-40(42)46-43(53)28-26-38-36-14-6-9-20-45(36)55-49(38)46/h1-2,4-11,13-21,23,26,28-29,36,45H,3,12,22,24-25,27H2.
What are the key properties of 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole?
5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 711.87 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]-2-dibenzofuran-4-yl-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 88556599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).