7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

C52H33N3S — CID 170651828

IUPAC7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5cccc(c5)c5cccc(c5)n(-c5ccc6ccccc6c5)c5ccc6sc7ccc4cc7c6c5)c32)cc1
InChIInChI=1S/C52H33N3S/c1-2-15-38(16-3-1)55-48-21-7-6-19-44(48)45-20-10-22-49(52(45)55)54-40-18-9-14-37(31-40)36-13-8-17-39(30-36)53(41-24-23-34-11-4-5-12-35(34)29-41)42-25-27-50-46(32-42)47-33-43(54)26-28-51(47)56-50/h1-33H
InChIKeyTVPRSEAIELAYCL-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.47
Rot. Bonds3

About 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (PubChem CID 170651828) has the molecular formula C52H33N3S and a molecular weight of 731.92 g/mol. Its IUPAC name is 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

Molecular Properties

Compound Name7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
PubChem CID170651828
Molecular FormulaC52H33N3S
Molecular Weight731.92 g/mol
Exact Mass731.24
IUPAC Name7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cccc(-n4c5cccc(c5)c5cccc(c5)n(-c5ccc6ccccc6c5)c5ccc6sc7ccc4cc7c6c5)c32)cc1
InChIInChI=1S/C52H33N3S/c1-2-15-38(16-3-1)55-48-21-7-6-19-44(48)45-20-10-22-49(52(45)55)54-40-18-9-14-37(31-40)36-13-8-17-39(30-36)53(41-24-23-34-11-4-5-12-35(34)29-41)42-25-27-50-46(32-42)47-33-43(54)26-28-51(47)56-50/h1-33H
InChIKeyTVPRSEAIELAYCL-UHFFFAOYSA-N
XLogP14.47
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene with MolForge

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Related Compounds

7-phenyl-18-(9-phenylcarbazol-3-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651912
2-naphthalen-2-yl-13-(9-naphthalen-1-ylcarbazol-1-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651943
7-(9-naphthalen-1-ylcarbazol-1-yl)-18-(9-naphthalen-1-ylcarbazol-4-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651881
7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651831
2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170652031
2-(9-naphthalen-1-ylcarbazol-1-yl)-13-(9-naphthalen-1-ylcarbazol-2-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651999
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
7-carbazol-9-yl-23-phenyl-3-thia-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 118545733
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652102
2-(9-naphthalen-1-ylcarbazol-2-yl)-13-(9-naphthalen-1-ylcarbazol-3-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170651807

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The IUPAC name of 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (CID 170651828) is 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.
What is the SMILES notation for 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The canonical SMILES for 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is c1ccc(-n2c3ccccc3c3cccc(-n4c5cccc(c5)c5cccc(c5)n(-c5ccc6ccccc6c5)c5ccc6sc7ccc4cc7c6c5)c32)cc1.
What is the InChIKey of 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The InChIKey is TVPRSEAIELAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S/c1-2-15-38(16-3-1)55-48-21-7-6-19-44(48)45-20-10-22-49(52(45)55)54-40-18-9-14-37(31-40)36-13-8-17-39(30-36)53(41-24-23-34-11-4-5-12-35(34)29-41)42-25-27-50-46(32-42)47-33-43(54)26-28-51(47)56-50/h1-33H.
What are the key properties of 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene has a molecular weight of 731.92 g/mol, XLogP of 14.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-18-(9-phenylcarbazol-1-yl)-24-thia-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is sourced from PubChem (CID 170651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).