24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene

C35H26N2 — CID 145080123

IUPAC24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene
SMILESCc1ccc(-n2c3ccccc3c3c4c(c5c6ccccc6n(-c6ccccc6)c5c32)C=CCC4)cc1
InChIInChI=1S/C35H26N2/c1-23-19-21-25(22-20-23)37-31-18-10-8-16-29(31)33-27-14-6-5-13-26(27)32-28-15-7-9-17-30(28)36(34(32)35(33)37)24-11-3-2-4-12-24/h2-5,7-13,15-22H,6,14H2,1H3
InChIKeyJLRVRQKRISFLER-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.15
Rot. Bonds2

About 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene

24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene (PubChem CID 145080123) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene.

Molecular Properties

Compound Name24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene
PubChem CID145080123
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene
SMILESCc1ccc(-n2c3ccccc3c3c4c(c5c6ccccc6n(-c6ccccc6)c5c32)C=CCC4)cc1
InChIInChI=1S/C35H26N2/c1-23-19-21-25(22-20-23)37-31-18-10-8-16-29(31)33-27-14-6-5-13-26(27)32-28-15-7-9-17-30(28)36(34(32)35(33)37)24-11-3-2-4-12-24/h2-5,7-13,15-22H,6,14H2,1H3
InChIKeyJLRVRQKRISFLER-UHFFFAOYSA-N
XLogP9.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene with MolForge

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Related Compounds

5-chloro-7-[4-(4-phenylphenyl)phenyl]-1,2-dihydrobenzo[c]carbazole
CID 145362296
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
5-phenyl-9,10-dihydrophenanthridin-6-one
CID 153394465
5-[4-(4-methylphenyl)phenyl]-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
CID 144907071
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
21-phenyl-18-[4-[4-(1-phenylpropan-2-yl)phenyl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,7,11,13,15(20),16,18-octaene
CID 144919954
ethane;21-phenyl-18-[4-[4-(1-phenylpropan-2-yl)phenyl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,7,11,13,15(20),16,18-octaene
CID 144919953
4-methyl-N-(4-methylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]aniline
CID 70938011
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[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 138729666

Frequently Asked Questions

What is the IUPAC name of 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene?
The IUPAC name of 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene (CID 145080123) is 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene.
What is the SMILES notation for 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene?
The canonical SMILES for 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene is Cc1ccc(-n2c3ccccc3c3c4c(c5c6ccccc6n(-c6ccccc6)c5c32)C=CCC4)cc1.
What is the InChIKey of 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene?
The InChIKey is JLRVRQKRISFLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-23-19-21-25(22-20-23)37-31-18-10-8-16-29(31)33-27-14-6-5-13-26(27)32-28-15-7-9-17-30(28)36(34(32)35(33)37)24-11-3-2-4-12-24/h2-5,7-13,15-22H,6,14H2,1H3.
What are the key properties of 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene?
24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene has a molecular weight of 474.61 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene is sourced from PubChem (CID 145080123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).