2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine

C62H38N4OS — CID 145381089

IUPAC2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine
SMILESC1=CC(n2c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc(-c5ccccc5)c5sc(-c6ccccc6)cc5n4)ccc3c3c4ccccc4ccc32)Cc2c1oc1ccccc21
InChIInChI=1S/C62H38N4OS/c1-3-14-38(15-4-1)58-36-51-61(68-58)60(39-16-5-2-6-17-39)64-62(63-51)66-52-28-25-42(32-48(52)49-31-40-18-7-8-19-41(40)33-55(49)66)43-23-27-47-54(34-43)65(53-29-24-37-13-9-10-20-45(37)59(47)53)44-26-30-57-50(35-44)46-21-11-12-22-56(46)67-57/h1-34,36,44H,35H2
InChIKeyXDBQKLKBRDIZIC-UHFFFAOYSA-N
MW887.08 g/mol
LogP16.76
Rot. Bonds5

About 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine

2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine (PubChem CID 145381089) has the molecular formula C62H38N4OS and a molecular weight of 887.08 g/mol. Its IUPAC name is 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine
PubChem CID145381089
Molecular FormulaC62H38N4OS
Molecular Weight887.08 g/mol
Exact Mass886.28
IUPAC Name2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine
SMILESC1=CC(n2c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc(-c5ccccc5)c5sc(-c6ccccc6)cc5n4)ccc3c3c4ccccc4ccc32)Cc2c1oc1ccccc21
InChIInChI=1S/C62H38N4OS/c1-3-14-38(15-4-1)58-36-51-61(68-58)60(39-16-5-2-6-17-39)64-62(63-51)66-52-28-25-42(32-48(52)49-31-40-18-7-8-19-41(40)33-55(49)66)43-23-27-47-54(34-43)65(53-29-24-37-13-9-10-20-45(37)59(47)53)44-26-30-57-50(35-44)46-21-11-12-22-56(46)67-57/h1-34,36,44H,35H2
InChIKeyXDBQKLKBRDIZIC-UHFFFAOYSA-N
XLogP16.76
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.08
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(4,6-diphenylthieno[3,2-d]pyrimidin-2-yl)benzo[c]carbazol-10-yl]boronic acid
CID 169274888
N,N-diphenyl-4-[6-phenyl-2-[10-(9-phenylcarbazol-4-yl)benzo[c]carbazol-7-yl]thieno[3,2-d]pyrimidin-4-yl]aniline
CID 145381034
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
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-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline
CID 131998698
18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475167
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692460
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433908
5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301057

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine (CID 145381089) is 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine is C1=CC(n2c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc(-c5ccccc5)c5sc(-c6ccccc6)cc5n4)ccc3c3c4ccccc4ccc32)Cc2c1oc1ccccc21.
What is the InChIKey of 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine?
The InChIKey is XDBQKLKBRDIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4OS/c1-3-14-38(15-4-1)58-36-51-61(68-58)60(39-16-5-2-6-17-39)64-62(63-51)66-52-28-25-42(32-48(52)49-31-40-18-7-8-19-41(40)33-55(49)66)43-23-27-47-54(34-43)65(53-29-24-37-13-9-10-20-45(37)59(47)53)44-26-30-57-50(35-44)46-21-11-12-22-56(46)67-57/h1-34,36,44H,35H2.
What are the key properties of 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine?
2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine has a molecular weight of 887.08 g/mol, XLogP of 16.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(1,2-dihydrodibenzofuran-2-yl)benzo[g]carbazol-9-yl]benzo[b]carbazol-5-yl]-4,6-diphenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 145381089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).