5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]

C49H30N2O — CID 118614743

IUPAC5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc3c(c2n4-c2ccccc2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C49H30N2O/c1-3-15-31(16-4-1)50-42-24-12-8-19-33(42)36-29-44-37(30-43(36)50)34-27-28-41-47(48(34)51(44)32-17-5-2-6-18-32)35-20-7-9-21-38(35)49(41)39-22-10-13-25-45(39)52-46-26-14-11-23-40(46)49/h1-30H
InChIKeyPWPQNEZBMFEHRN-UHFFFAOYSA-N
MW662.79 g/mol
LogP12.35
Rot. Bonds2

About 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]

5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene] (PubChem CID 118614743) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene].

Molecular Properties

Compound Name5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
PubChem CID118614743
Molecular FormulaC49H30N2O
Molecular Weight662.79 g/mol
Exact Mass662.24
IUPAC Name5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc3c(c2n4-c2ccccc2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C49H30N2O/c1-3-15-31(16-4-1)50-42-24-12-8-19-33(42)36-29-44-37(30-43(36)50)34-27-28-41-47(48(34)51(44)32-17-5-2-6-18-32)35-20-7-9-21-38(35)49(41)39-22-10-13-25-45(39)52-46-26-14-11-23-40(46)49/h1-30H
InChIKeyPWPQNEZBMFEHRN-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 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene] with MolForge

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Related Compounds

3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 163986204
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
11,11-dimethyl-15-phenylspiro[15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614896
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
CID 169305047
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707
3'-methyl-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253720
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
CID 134551739
CID 134551739

Frequently Asked Questions

What is the IUPAC name of 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]?
The IUPAC name of 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene] (CID 118614743) is 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene].
What is the SMILES notation for 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]?
The canonical SMILES for 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene] is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc3c(c2n4-c2ccccc2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]?
The InChIKey is PWPQNEZBMFEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c1-3-15-31(16-4-1)50-42-24-12-8-19-33(42)36-29-44-37(30-43(36)50)34-27-28-41-47(48(34)51(44)32-17-5-2-6-18-32)35-20-7-9-21-38(35)49(41)39-22-10-13-25-45(39)52-46-26-14-11-23-40(46)49/h1-30H.
What are the key properties of 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]?
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-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 5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene] is sourced from PubChem (CID 118614743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).