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]

C46H31NO — CID 118614896

IUPAC11,11-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]
SMILESCC1(C)c2ccccc2-c2cc3c4ccc5c(c4n(-c4ccccc4)c3cc21)-c1ccccc1C51c2ccccc2Oc2ccccc21
InChIInChI=1S/C46H31NO/c1-45(2)34-18-8-6-16-29(34)32-26-33-30-24-25-38-43(44(30)47(40(33)27-39(32)45)28-14-4-3-5-15-28)31-17-7-9-19-35(31)46(38)36-20-10-12-22-41(36)48-42-23-13-11-21-37(42)46/h3-27H,1-2H3
InChIKeyYGDSVNOBKAHVTO-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.56
Rot. Bonds1

About 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]

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] (PubChem CID 118614896) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name11,11-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]
PubChem CID118614896
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name11,11-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]
SMILESCC1(C)c2ccccc2-c2cc3c4ccc5c(c4n(-c4ccccc4)c3cc21)-c1ccccc1C51c2ccccc2Oc2ccccc21
InChIInChI=1S/C46H31NO/c1-45(2)34-18-8-6-16-29(34)32-26-33-30-24-25-38-43(44(30)47(40(33)27-39(32)45)28-14-4-3-5-15-28)31-17-7-9-19-35(31)46(38)36-20-10-12-22-41(36)48-42-23-13-11-21-37(42)46/h3-27H,1-2H3
InChIKeyYGDSVNOBKAHVTO-UHFFFAOYSA-N
XLogP11.56
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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] 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

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
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
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
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
3'-methyl-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253720
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
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 138744026
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
CID 118614739
27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene
CID 146982725
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
CID 156559691

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC1(C)c2ccccc2-c2cc3c4ccc5c(c4n(-c4ccccc4)c3cc21)-c1ccccc1C51c2ccccc2Oc2ccccc21.
What is the InChIKey of 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]?
The InChIKey is YGDSVNOBKAHVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-45(2)34-18-8-6-16-29(34)32-26-33-30-24-25-38-43(44(30)47(40(33)27-39(32)45)28-14-4-3-5-15-28)31-17-7-9-19-35(31)46(38)36-20-10-12-22-41(36)48-42-23-13-11-21-37(42)46/h3-27H,1-2H3.
What are the key properties of 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]?
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] has a molecular weight of 613.76 g/mol, XLogP of 11.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 118614896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).