24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C42H25NOS — CID 155623191

IUPAC24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5c(ccc6sc7ccccc7c65)c4ccc32)cc1

InChIInChI=1S/C42H25NOS/c1-3-12-26(13-4-1)28-18-11-19-29(27-14-5-2-6-15-27)40(28)43-34-20-9-7-16-32(34)38-35(43)24-22-30-31-23-25-37-39(42(31)44-41(30)38)33-17-8-10-21-36(33)45-37/h1-25H

InChIKeyOIZFOIVJDTUVQF-UHFFFAOYSA-N

MW591.74 g/mol

LogP12.39

Rot. Bonds3

About 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 155623191) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name	24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
PubChem CID	155623191
Molecular Formula	C42H25NOS
Molecular Weight	591.74 g/mol
Exact Mass	591.17
IUPAC Name	24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILES	c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5c(ccc6sc7ccccc7c65)c4ccc32)cc1
InChI	InChI=1S/C42H25NOS/c1-3-12-26(13-4-1)28-18-11-19-29(27-14-5-2-6-15-27)40(28)43-34-20-9-7-16-32(34)38-35(43)24-22-30-31-23-25-37-39(42(31)44-41(30)38)33-17-8-10-21-36(33)45-37/h1-25H
InChIKey	OIZFOIVJDTUVQF-UHFFFAOYSA-N
XLogP	12.39
TPSA	18.07 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.74
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 155623191) is 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5c(ccc6sc7ccccc7c65)c4ccc32)cc1.

What is the InChIKey of 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The InChIKey is OIZFOIVJDTUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-3-12-26(13-4-1)28-18-11-19-29(27-14-5-2-6-15-27)40(28)43-34-20-9-7-16-32(34)38-35(43)24-22-30-31-23-25-37-39(42(31)44-41(30)38)33-17-8-10-21-36(33)45-37/h1-25H.

What are the key properties of 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 591.74 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(2,6-diphenylphenyl)-15-oxa-6-thia-24-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 155623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).