2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole

C66H42N6O2 — CID 163995473

IUPAC2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole
SMILESC1=Cc2c(oc3c2CCC=C3c2nc(-c3cccc4c3oc3ccccc34)nc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc4n(-c4ccccc4)c23)CC1
InChIInChI=1S/C66H42N6O2/c1-3-17-39(18-4-1)59-48-24-7-11-29-53(48)67-66(70-59)72-54-30-12-8-21-43(54)51-37-40(33-35-55(51)72)41-34-36-56-52(38-41)61-62(71(56)42-19-5-2-6-20-42)60(49-27-15-25-46-44-22-9-13-31-57(44)73-63(46)49)68-65(69-61)50-28-16-26-47-45-23-10-14-32-58(45)74-64(47)50/h1-12,14,16-24,26-30,32-38H,13,15,25,31H2
InChIKeyUEHLNYWGVMIDJE-UHFFFAOYSA-N
MW951.10 g/mol
LogP16.44
Rot. Bonds6

About 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole

2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole (PubChem CID 163995473) has the molecular formula C66H42N6O2 and a molecular weight of 951.10 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole
PubChem CID163995473
Molecular FormulaC66H42N6O2
Molecular Weight951.10 g/mol
Exact Mass950.34
IUPAC Name2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole
SMILESC1=Cc2c(oc3c2CCC=C3c2nc(-c3cccc4c3oc3ccccc34)nc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc4n(-c4ccccc4)c23)CC1
InChIInChI=1S/C66H42N6O2/c1-3-17-39(18-4-1)59-48-24-7-11-29-53(48)67-66(70-59)72-54-30-12-8-21-43(54)51-37-40(33-35-55(51)72)41-34-36-56-52(38-41)61-62(71(56)42-19-5-2-6-20-42)60(49-27-15-25-46-44-22-9-13-31-57(44)73-63(46)49)68-65(69-61)50-28-16-26-47-45-23-10-14-32-58(45)74-64(47)50/h1-12,14,16-24,26-30,32-38H,13,15,25,31H2
InChIKeyUEHLNYWGVMIDJE-UHFFFAOYSA-N
XLogP16.44
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.10
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole with MolForge

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Related Compounds

3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592678
6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 176725980
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 165155024
9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
CID 144834685
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146615811
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
2-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-dibenzofuran-4-yl-9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 159982743

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole?
The IUPAC name of 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole (CID 163995473) is 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole?
The canonical SMILES for 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole is C1=Cc2c(oc3c2CCC=C3c2nc(-c3cccc4c3oc3ccccc34)nc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc4n(-c4ccccc4)c23)CC1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole?
The InChIKey is UEHLNYWGVMIDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6O2/c1-3-17-39(18-4-1)59-48-24-7-11-29-53(48)67-66(70-59)72-54-30-12-8-21-43(54)51-37-40(33-35-55(51)72)41-34-36-56-52(38-41)61-62(71(56)42-19-5-2-6-20-42)60(49-27-15-25-46-44-22-9-13-31-57(44)73-63(46)49)68-65(69-61)50-28-16-26-47-45-23-10-14-32-58(45)74-64(47)50/h1-12,14,16-24,26-30,32-38H,13,15,25,31H2.
What are the key properties of 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole?
2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole has a molecular weight of 951.10 g/mol, XLogP of 16.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-phenyl-8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-4-(1,2,6,7-tetrahydrodibenzofuran-4-yl)pyrimido[5,4-b]indole is sourced from PubChem (CID 163995473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).