9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole

C44H29NS — CID 139335239

IUPAC9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2sc(-c3ccc4cc5c(cc4c3)Cc3ccc(-n4c6ccccc6c6ccccc64)cc3C5)c3ccccc23)cc1
InChIInChI=1S/C44H29NS/c1-2-10-28(11-3-1)43-39-14-4-5-15-40(39)44(46-43)31-19-18-29-22-34-26-35-27-36(21-20-30(35)23-33(34)25-32(29)24-31)45-41-16-8-6-12-37(41)38-13-7-9-17-42(38)45/h1-22,24-25,27H,23,26H2
InChIKeyDZTFQHJYPOTFED-UHFFFAOYSA-N
MW603.79 g/mol
LogP11.98
Rot. Bonds3

About 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole

9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole (PubChem CID 139335239) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole
PubChem CID139335239
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2sc(-c3ccc4cc5c(cc4c3)Cc3ccc(-n4c6ccccc6c6ccccc64)cc3C5)c3ccccc23)cc1
InChIInChI=1S/C44H29NS/c1-2-10-28(11-3-1)43-39-14-4-5-15-40(39)44(46-43)31-19-18-29-22-34-26-35-27-36(21-20-30(35)23-33(34)25-32(29)24-31)45-41-16-8-6-12-37(41)38-13-7-9-17-42(38)45/h1-22,24-25,27H,23,26H2
InChIKeyDZTFQHJYPOTFED-UHFFFAOYSA-N
XLogP11.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335308
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
9-(8-bromo-6,11-dihydrotetracen-2-yl)carbazole
CID 139329518
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
CID 139335220
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 58690855
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938

Frequently Asked Questions

What is the IUPAC name of 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole?
The IUPAC name of 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole (CID 139335239) is 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole.
What is the SMILES notation for 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole?
The canonical SMILES for 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole is c1ccc(-c2sc(-c3ccc4cc5c(cc4c3)Cc3ccc(-n4c6ccccc6c6ccccc64)cc3C5)c3ccccc23)cc1.
What is the InChIKey of 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole?
The InChIKey is DZTFQHJYPOTFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-2-10-28(11-3-1)43-39-14-4-5-15-40(39)44(46-43)31-19-18-29-22-34-26-35-27-36(21-20-30(35)23-33(34)25-32(29)24-31)45-41-16-8-6-12-37(41)38-13-7-9-17-42(38)45/h1-22,24-25,27H,23,26H2.
What are the key properties of 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole?
9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole has a molecular weight of 603.79 g/mol, XLogP of 11.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole is sourced from PubChem (CID 139335239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).