6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]

C49H30N2O — CID 129133170

IUPAC6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccc3c(c2C42c4ccccc4Oc4ccccc42)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H30N2O/c1-3-15-31(16-4-1)50-39-23-11-7-19-35(39)45-41(50)29-27-33-34-28-30-42-46(36-20-8-12-24-40(36)51(42)32-17-5-2-6-18-32)48(34)49(47(33)45)37-21-9-13-25-43(37)52-44-26-14-10-22-38(44)49/h1-30H
InChIKeyYCKMWKDZGHMBAL-UHFFFAOYSA-N
MW662.79 g/mol
LogP12.35
Rot. Bonds2

About 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]

6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene] (PubChem CID 129133170) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene].

Molecular Properties

Compound Name6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]
PubChem CID129133170
Molecular FormulaC49H30N2O
Molecular Weight662.79 g/mol
Exact Mass662.24
IUPAC Name6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccc3c(c2C42c4ccccc4Oc4ccccc42)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H30N2O/c1-3-15-31(16-4-1)50-39-23-11-7-19-35(39)45-41(50)29-27-33-34-28-30-42-46(36-20-8-12-24-40(36)51(42)32-17-5-2-6-18-32)48(34)49(47(33)45)37-21-9-13-25-43(37)52-44-26-14-10-22-38(44)49/h1-30H
InChIKeyYCKMWKDZGHMBAL-UHFFFAOYSA-N
XLogP12.35
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44235489
CID 44235489
CID 53401213
CID 53401213
CID 118952247
CID 118952247
CID 129111655
CID 129111655
CID 129123770
CID 129123770
CID 129133123
CID 129133123
CID 129133141
CID 129133141
CID 129133149
CID 129133149
CID 129229742
CID 129229742
CID 134390545
CID 134390545
CID 139052249
CID 139052249
CID 163643866
CID 163643866

Frequently Asked Questions

What is the IUPAC name of 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]?
The IUPAC name of 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene] (CID 129133170) is 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene].
What is the SMILES notation for 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]?
The canonical SMILES for 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene] is c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccc3c(c2C42c4ccccc4Oc4ccccc42)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]?
The InChIKey is YCKMWKDZGHMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c1-3-15-31(16-4-1)50-39-23-11-7-19-35(39)45-41(50)29-27-33-34-28-30-42-46(36-20-8-12-24-40(36)51(42)32-17-5-2-6-18-32)48(34)49(47(33)45)37-21-9-13-25-43(37)52-44-26-14-10-22-38(44)49/h1-30H.
What are the key properties of 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene]?
6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene] has a molecular weight of 662.79 g/mol, XLogP of 12.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,24-diphenylspiro[6,24-diazaheptacyclo[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-15,9'-xanthene] is sourced from PubChem (CID 129133170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).