24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C41H29NS — CID 146687849

IUPAC24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESCC1C=C(c2ccccc2)C=CC1c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)cc1
InChIInChI=1S/C41H29NS/c1-26-25-29(27-11-3-2-4-12-27)21-24-31(26)28-19-22-30(23-20-28)42-36-17-9-7-15-34(36)38-32-13-5-6-14-33(32)39-35-16-8-10-18-37(35)43-41(39)40(38)42/h2-26,31H,1H3
InChIKeyPWWXIFZCOYHKOL-UHFFFAOYSA-N
MW567.76 g/mol
LogP11.68
Rot. Bonds3

About 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 146687849) has the molecular formula C41H29NS and a molecular weight of 567.76 g/mol. Its IUPAC name is 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID146687849
Molecular FormulaC41H29NS
Molecular Weight567.76 g/mol
Exact Mass567.20
IUPAC Name24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESCC1C=C(c2ccccc2)C=CC1c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)cc1
InChIInChI=1S/C41H29NS/c1-26-25-29(27-11-3-2-4-12-27)21-24-31(26)28-19-22-30(23-20-28)42-36-17-9-7-15-34(36)38-32-13-5-6-14-33(32)39-35-16-8-10-18-37(35)43-41(39)40(38)42/h2-26,31H,1H3
InChIKeyPWWXIFZCOYHKOL-UHFFFAOYSA-N
XLogP11.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

24-(4-phenylphenyl)-20-[4-[24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl]phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129038210
20-carbazol-9-yl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129038228
24-[3-(3-phenylphenyl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 155793719
24-[6-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)naphthalen-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 129038150
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18-dithia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634947
24-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4,6-diphenylpyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 159462123
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;hydride
CID 161034662
21-(4-phenylphenyl)-9,18-dithia-7,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 138640606
12-[3-(3-phenylphenyl)phenyl]-9-thia-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359076
9-(9-phenylcarbazol-3-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 118503172
6-bromo-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 122578784
21-phenyl-9-pyridin-3-yl-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634998

Frequently Asked Questions

What is the IUPAC name of 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 146687849) is 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1C=C(c2ccccc2)C=CC1c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)cc1.
What is the InChIKey of 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is PWWXIFZCOYHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NS/c1-26-25-29(27-11-3-2-4-12-27)21-24-31(26)28-19-22-30(23-20-28)42-36-17-9-7-15-34(36)38-32-13-5-6-14-33(32)39-35-16-8-10-18-37(35)43-41(39)40(38)42/h2-26,31H,1H3.
What are the key properties of 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 567.76 g/mol, XLogP of 11.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 146687849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).