15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene

C43H29NS — CID 144704995

IUPAC15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c32)C(c2ccc3ccccc3c2)CCc2c-4ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C43H29NS/c1-2-12-30(13-3-1)44-38-16-8-6-14-33(38)36-23-22-35-32-24-25-40-41(37-15-7-9-17-39(37)45-40)34(32)21-20-31(42(35)43(36)44)29-19-18-27-10-4-5-11-28(27)26-29/h1-19,22-26,31H,20-21H2
InChIKeyILWBHXFDWUZEMM-UHFFFAOYSA-N
MW591.78 g/mol
LogP12.05
Rot. Bonds2

About 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene

15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene (PubChem CID 144704995) has the molecular formula C43H29NS and a molecular weight of 591.78 g/mol. Its IUPAC name is 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene.

Molecular Properties

Compound Name15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene
PubChem CID144704995
Molecular FormulaC43H29NS
Molecular Weight591.78 g/mol
Exact Mass591.20
IUPAC Name15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c32)C(c2ccc3ccccc3c2)CCc2c-4ccc3sc4ccccc4c23)cc1
InChIInChI=1S/C43H29NS/c1-2-12-30(13-3-1)44-38-16-8-6-14-33(38)36-23-22-35-32-24-25-40-41(37-15-7-9-17-39(37)45-40)34(32)21-20-31(42(35)43(36)44)29-19-18-27-10-4-5-11-28(27)26-29/h1-19,22-26,31H,20-21H2
InChIKeyILWBHXFDWUZEMM-UHFFFAOYSA-N
XLogP12.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.78
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene with MolForge

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Related Compounds

1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
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CID 144705068
22-phenyl-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene;sulfane
CID 145261554
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
2-(4-benzo[a]carbazol-11-ylphenyl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzoxazole
CID 167453174
5-[4-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430597
26-phenyl-10-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,25(33),27,29,31,34-pentadecaene
CID 165156834
23-dibenzothiophen-1-yl-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465477
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
18-carbazol-9-yl-14-naphthalen-2-yl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593667
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene?
The IUPAC name of 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene (CID 144704995) is 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene.
What is the SMILES notation for 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene?
The canonical SMILES for 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene is c1ccc(-n2c3ccccc3c3ccc4c(c32)C(c2ccc3ccccc3c2)CCc2c-4ccc3sc4ccccc4c23)cc1.
What is the InChIKey of 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene?
The InChIKey is ILWBHXFDWUZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NS/c1-2-12-30(13-3-1)44-38-16-8-6-14-33(38)36-23-22-35-32-24-25-40-41(37-15-7-9-17-39(37)45-40)34(32)21-20-31(42(35)43(36)44)29-19-18-27-10-4-5-11-28(27)26-29/h1-19,22-26,31H,20-21H2.
What are the key properties of 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene?
15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene has a molecular weight of 591.78 g/mol, XLogP of 12.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-2-yl-12-phenyl-26-thia-12-azaheptacyclo[16.11.0.02,14.05,13.06,11.019,27.020,25]nonacosa-1(18),2(14),3,5(13),6,8,10,19(27),20,22,24,28-dodecaene is sourced from PubChem (CID 144704995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).