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

C68H42N4S — CID 170651881

IUPAC7-(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
SMILESc1ccc2c(-n3c4ccccc4c4c(-n5c6cccc(c6)c6cccc(c6)n(-c6cccc7c8ccccc8n(-c8cccc9ccccc89)c67)c6ccc7sc8ccc5cc8c7c6)cccc43)cccc2c1
InChIInChI=1S/C68H42N4S/c1-3-23-51-43(15-1)17-11-30-58(51)71-61-29-8-6-26-55(61)67-62(32-14-33-63(67)71)69-47-21-9-19-45(39-47)46-20-10-22-48(40-46)70(50-36-38-66-57(42-50)56-41-49(69)35-37-65(56)73-66)64-34-13-27-54-53-25-5-7-28-60(53)72(68(54)64)59-31-12-18-44-16-2-4-24-52(44)59/h1-42H
InChIKeyKKIFZKLMCXZELN-UHFFFAOYSA-N
MW947.18 g/mol
LogP18.72
Rot. Bonds4

About 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

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 (PubChem CID 170651881) has the molecular formula C68H42N4S and a molecular weight of 947.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID170651881
Molecular FormulaC68H42N4S
Molecular Weight947.18 g/mol
Exact Mass946.31
IUPAC Name7-(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
SMILESc1ccc2c(-n3c4ccccc4c4c(-n5c6cccc(c6)c6cccc(c6)n(-c6cccc7c8ccccc8n(-c8cccc9ccccc89)c67)c6ccc7sc8ccc5cc8c7c6)cccc43)cccc2c1
InChIInChI=1S/C68H42N4S/c1-3-23-51-43(15-1)17-11-30-58(51)71-61-29-8-6-26-55(61)67-62(32-14-33-63(67)71)69-47-21-9-19-45(39-47)46-20-10-22-48(40-46)70(50-36-38-66-57(42-50)56-41-49(69)35-37-65(56)73-66)64-34-13-27-54-53-25-5-7-28-60(53)72(68(54)64)59-31-12-18-44-16-2-4-24-52(44)59/h1-42H
InChIKeyKKIFZKLMCXZELN-UHFFFAOYSA-N
XLogP18.72
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.18
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-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
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
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
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
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
9-naphthalen-1-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503133
9,25-dinaphthalen-1-yl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene;9,25-dinaphthalen-2-yl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 160857402

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(-n3c4ccccc4c4c(-n5c6cccc(c6)c6cccc(c6)n(-c6cccc7c8ccccc8n(-c8cccc9ccccc89)c67)c6ccc7sc8ccc5cc8c7c6)cccc43)cccc2c1.
What is the InChIKey of 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?
The InChIKey is KKIFZKLMCXZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N4S/c1-3-23-51-43(15-1)17-11-30-58(51)71-61-29-8-6-26-55(61)67-62(32-14-33-63(67)71)69-47-21-9-19-45(39-47)46-20-10-22-48(40-46)70(50-36-38-66-57(42-50)56-41-49(69)35-37-65(56)73-66)64-34-13-27-54-53-25-5-7-28-60(53)72(68(54)64)59-31-12-18-44-16-2-4-24-52(44)59/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 947.18 g/mol, XLogP of 18.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170651881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).