7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene

C50H29N5S — CID 154600965

IUPAC7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccc7sc8c9ccccc9ccc8c7c6n5)cn4)cc32)nc1
InChIInChI=1S/C50H29N5S/c1-3-13-34-30(10-1)12-9-16-38(34)47-40-24-26-44-46(39-23-19-31-11-2-4-14-35(31)49(39)56-44)48(40)54-50(53-47)33-21-25-41(52-29-33)32-20-22-37-36-15-5-6-17-42(36)55(43(37)28-32)45-18-7-8-27-51-45/h1-29H
InChIKeyAGYFVCMBPPFPQC-UHFFFAOYSA-N
MW731.88 g/mol
LogP13.19
Rot. Bonds4

About 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene

7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene (PubChem CID 154600965) has the molecular formula C50H29N5S and a molecular weight of 731.88 g/mol. Its IUPAC name is 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene.

Molecular Properties

Compound Name7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
PubChem CID154600965
Molecular FormulaC50H29N5S
Molecular Weight731.88 g/mol
Exact Mass731.21
IUPAC Name7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccc7sc8c9ccccc9ccc8c7c6n5)cn4)cc32)nc1
InChIInChI=1S/C50H29N5S/c1-3-13-34-30(10-1)12-9-16-38(34)47-40-24-26-44-46(39-23-19-31-11-2-4-14-35(31)49(39)56-44)48(40)54-50(53-47)33-21-25-41(52-29-33)32-20-22-37-36-15-5-6-17-42(36)55(43(37)28-32)45-18-7-8-27-51-45/h1-29H
InChIKeyAGYFVCMBPPFPQC-UHFFFAOYSA-N
XLogP13.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.88
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene with MolForge

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Related Compounds

10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole
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7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
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5-dibenzofuran-3-yl-7-naphthalen-1-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 154600953
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
2-[3-(6-naphthalen-1-yl-3-pyridinyl)-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenylbenzo[h]quinazoline
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7-naphthalen-1-yl-5-(9,9'-spirobi[fluorene]-3-yl)-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 154600808
2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline
CID 122497128
2-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;2-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole
CID 157388148
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzothiol-7-ylphenyl]benzo[b]carbazole
CID 155474842
15-naphthalen-1-yl-13-[3-(3-phenylphenyl)phenyl]-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128911

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The IUPAC name of 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene (CID 154600965) is 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene.
What is the SMILES notation for 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The canonical SMILES for 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccc7sc8c9ccccc9ccc8c7c6n5)cn4)cc32)nc1.
What is the InChIKey of 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The InChIKey is AGYFVCMBPPFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5S/c1-3-13-34-30(10-1)12-9-16-38(34)47-40-24-26-44-46(39-23-19-31-11-2-4-14-35(31)49(39)56-44)48(40)54-50(53-47)33-21-25-41(52-29-33)32-20-22-37-36-15-5-6-17-42(36)55(43(37)28-32)45-18-7-8-27-51-45/h1-29H.
What are the key properties of 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene has a molecular weight of 731.88 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-5-[6-(9-pyridin-2-ylcarbazol-2-yl)-3-pyridinyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene is sourced from PubChem (CID 154600965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).