9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C41H29N3 — CID 122464817

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C41H29N3/c1-41(2)32-23-21-26-13-9-10-18-29(26)37(32)31-22-24-36-38(39(31)41)30-19-11-12-20-35(30)44(36)40-42-33(27-14-5-3-6-15-27)25-34(43-40)28-16-7-4-8-17-28/h3-25H,1-2H3
InChIKeyLAJSXZBCGJTHGP-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.37
Rot. Bonds3

About 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 122464817) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID122464817
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C41H29N3/c1-41(2)32-23-21-26-13-9-10-18-29(26)37(32)31-22-24-36-38(39(31)41)30-19-11-12-20-35(30)44(36)40-42-33(27-14-5-3-6-15-27)25-34(43-40)28-16-7-4-8-17-28/h3-25H,1-2H3
InChIKeyLAJSXZBCGJTHGP-UHFFFAOYSA-N
XLogP10.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 66805080
3-(4,6-diphenylpyrimidin-2-yl)-28,28-dimethyl-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 130452314
5-(4,6-diphenylpyrimidin-2-yl)-30,30-dimethyl-5-azaoctacyclo[19.7.1.113,16.02,14.04,12.06,11.015,20.025,29]triaconta-1(28),2,4(12),6,8,10,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 164840666
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
18-(4,6-diphenylpyrimidin-2-yl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635525
9-(4,6-diphenylpyrimidin-2-yl)-18,18,21,21-tetramethyl-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635582
9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122464666
5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene
CID 121442649
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 134237091
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 90276293
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)benzo[b]carbazole;ethane
CID 142569829

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 122464817) is 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is LAJSXZBCGJTHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-41(2)32-23-21-26-13-9-10-18-29(26)37(32)31-22-24-36-38(39(31)41)30-19-11-12-20-35(30)44(36)40-42-33(27-14-5-3-6-15-27)25-34(43-40)28-16-7-4-8-17-28/h3-25H,1-2H3.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 563.70 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122464817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).