15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene

C29H22N2 — CID 90270217

IUPAC15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2c1c1ccc3[nH]c4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C29H22N2/c1-29(2)22-14-8-6-12-19(22)28-26(29)21-16-17-24-25(20-13-7-9-15-23(20)30-24)27(21)31(28)18-10-4-3-5-11-18/h3-17,30H,1-2H3
InChIKeySKHUSOUCJUDKDR-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.57
Rot. Bonds1

About 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene

15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene (PubChem CID 90270217) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene.

Molecular Properties

Compound Name15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene
PubChem CID90270217
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2c1c1ccc3[nH]c4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C29H22N2/c1-29(2)22-14-8-6-12-19(22)28-26(29)21-16-17-24-25(20-13-7-9-15-23(20)30-24)27(21)31(28)18-10-4-3-5-11-18/h3-17,30H,1-2H3
InChIKeySKHUSOUCJUDKDR-UHFFFAOYSA-N
XLogP7.57
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene with MolForge

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Related Compounds

22,22-dimethyl-14-phenyl-3,14-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 90270162
24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341842
6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4(9),5,7,12,14(22),16,18,20-decaene
CID 90270224
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
CID 170091383
25,25,32-trimethyl-9-phenyl-9,17,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene
CID 174282576
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
7,7-dimethyl-12-phenyl-3-[5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-9H-carbazol-3-yl]indeno[1,2-a]carbazole
CID 163790294
1-(2-nitrophenyl)-9-phenylcarbazole;12-phenyl-5H-indolo[3,2-c]carbazole;triethyl phosphite
CID 160748116
ethane;4-phenyl-9H-carbazole
CID 168948755

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene?
The IUPAC name of 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene (CID 90270217) is 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene.
What is the SMILES notation for 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene?
The canonical SMILES for 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene is CC1(C)c2ccccc2-c2c1c1ccc3[nH]c4ccccc4c3c1n2-c1ccccc1.
What is the InChIKey of 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene?
The InChIKey is SKHUSOUCJUDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-29(2)22-14-8-6-12-19(22)28-26(29)21-16-17-24-25(20-13-7-9-15-23(20)30-24)27(21)31(28)18-10-4-3-5-11-18/h3-17,30H,1-2H3.
What are the key properties of 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene?
15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene has a molecular weight of 398.51 g/mol, XLogP of 7.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene is sourced from PubChem (CID 90270217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).