11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene

C38H26N2S2 — CID 134175966

IUPAC11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccccc6)nc4)c3cc21)Sc1ccccc1S5
InChIInChI=1S/C38H26N2S2/c1-38(2)29-13-7-6-12-25(29)26-18-27-28-19-36-37(42-35-15-9-8-14-34(35)41-36)21-33(28)40(32(27)20-30(26)38)24-16-17-31(39-22-24)23-10-4-3-5-11-23/h3-22H,1-2H3
InChIKeySYINREGZLKRXKY-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.77
Rot. Bonds2

About 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene

11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene (PubChem CID 134175966) has the molecular formula C38H26N2S2 and a molecular weight of 574.77 g/mol. Its IUPAC name is 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene.

Molecular Properties

Compound Name11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
PubChem CID134175966
Molecular FormulaC38H26N2S2
Molecular Weight574.77 g/mol
Exact Mass574.15
IUPAC Name11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccccc6)nc4)c3cc21)Sc1ccccc1S5
InChIInChI=1S/C38H26N2S2/c1-38(2)29-13-7-6-12-25(29)26-18-27-28-19-36-37(42-35-15-9-8-14-34(35)41-36)21-33(28)40(32(27)20-30(26)38)24-16-17-31(39-22-24)23-10-4-3-5-11-23/h3-22H,1-2H3
InChIKeySYINREGZLKRXKY-UHFFFAOYSA-N
XLogP10.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene with MolForge

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Related Compounds

15,15-dimethyl-11-(6-phenyl-3-pyridinyl)-18,25-dithia-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2(14),3,5,7,9,12,17(26),19,21,23,27-dodecaene
CID 134176079
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
1-N-[4-[4-(11,11-dimethyl-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaen-15-yl)phenyl]phenyl]-4-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 145441937
2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole
CID 89492500
3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 137385762
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
4-N-[4-[4-(11,11-dimethyl-18,25-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2,4(12),5,7,9,13,17(26),19,21,23,27-dodecaen-15-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 134175774
N-[4-[4-[4-(11,11-dimethyl-18,25-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,26.019,24]octacosa-1(16),2,4(12),5,7,9,13,17(26),19,21,23,27-dodecaen-15-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 134175764
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
The IUPAC name of 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene (CID 134175966) is 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene.
What is the SMILES notation for 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
The canonical SMILES for 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene is CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccccc6)nc4)c3cc21)Sc1ccccc1S5.
What is the InChIKey of 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
The InChIKey is SYINREGZLKRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2S2/c1-38(2)29-13-7-6-12-25(29)26-18-27-28-19-36-37(42-35-15-9-8-14-34(35)41-36)21-33(28)40(32(27)20-30(26)38)24-16-17-31(39-22-24)23-10-4-3-5-11-23/h3-22H,1-2H3.
What are the key properties of 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene?
11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene has a molecular weight of 574.77 g/mol, XLogP of 10.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-15-(6-phenyl-3-pyridinyl)-19,26-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene is sourced from PubChem (CID 134175966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).