6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran

C44H26OS — CID 176777632

IUPAC6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2cccc3sc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6oc7ccccc7c56)ccc4c23)cc1
InChIInChI=1S/C44H26OS/c1-2-12-28(13-3-1)32-18-10-20-38-42(32)36-24-23-31(26-39(36)46-38)40-33-15-6-7-16-34(33)41(30-22-21-27-11-4-5-14-29(27)25-30)44-43(40)35-17-8-9-19-37(35)45-44/h1-26H
InChIKeyCKHREXSWGPCUPN-UHFFFAOYSA-N
MW602.76 g/mol
LogP13.26
Rot. Bonds3

About 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran

6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 176777632) has the molecular formula C44H26OS and a molecular weight of 602.76 g/mol. Its IUPAC name is 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran
PubChem CID176777632
Molecular FormulaC44H26OS
Molecular Weight602.76 g/mol
Exact Mass602.17
IUPAC Name6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2cccc3sc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6oc7ccccc7c56)ccc4c23)cc1
InChIInChI=1S/C44H26OS/c1-2-12-28(13-3-1)32-18-10-20-38-42(32)36-24-23-31(26-39(36)46-38)40-33-15-6-7-16-34(33)41(30-22-21-27-11-4-5-14-29(27)25-30)44-43(40)35-17-8-9-19-37(35)45-44/h1-26H
InChIKeyCKHREXSWGPCUPN-UHFFFAOYSA-N
XLogP13.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-7-phenyldibenzothiophene
CID 171449571
1-[4-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-phenyldibenzothiophene
CID 171449300
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177281313
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
1-naphthalen-2-yl-4-[2-[10-(6-naphthalen-2-yldibenzothiophen-1-yl)-9-phenylanthracen-2-yl]-10-phenylanthracen-9-yl]dibenzofuran
CID 166897097
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
N,N-bis(4-naphthalen-2-ylphenyl)-2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 165101674
6-(10-naphthalen-2-ylanthracen-9-yl)-18-(10-phenylanthracen-9-yl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182796
2-dibenzofuran-3-yl-4-phenyl-6-[4-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[6-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]-1,3,5-triazine
CID 163618006

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran (CID 176777632) is 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran is c1ccc(-c2cccc3sc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6oc7ccccc7c56)ccc4c23)cc1.
What is the InChIKey of 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is CKHREXSWGPCUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26OS/c1-2-12-28(13-3-1)32-18-10-20-38-42(32)36-24-23-31(26-39(36)46-38)40-33-15-6-7-16-34(33)41(30-22-21-27-11-4-5-14-29(27)25-30)44-43(40)35-17-8-9-19-37(35)45-44/h1-26H.
What are the key properties of 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran?
6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 602.76 g/mol, XLogP of 13.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176777632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).