10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene

C36H22N2 — CID 121446766

IUPAC10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5c(c6ccccc6n5-c5ccccc5-c5ccccc5-4)c32)cc1
InChIInChI=1S/C36H22N2/c1-2-12-23(13-3-1)37-31-19-9-7-17-27(31)30-22-29-25-15-5-4-14-24(25)26-16-6-10-20-32(26)38-33-21-11-8-18-28(33)34(35(30)37)36(29)38/h1-22H
InChIKeyMHRBNNGXACDDRS-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.53
Rot. Bonds1

About 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene

10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene (PubChem CID 121446766) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene.

Molecular Properties

Compound Name10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
PubChem CID121446766
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5c(c6ccccc6n5-c5ccccc5-c5ccccc5-4)c32)cc1
InChIInChI=1S/C36H22N2/c1-2-12-23(13-3-1)37-31-19-9-7-17-27(31)30-22-29-25-15-5-4-14-24(25)26-16-6-10-20-32(26)38-33-21-11-8-18-28(33)34(35(30)37)36(29)38/h1-22H
InChIKeyMHRBNNGXACDDRS-UHFFFAOYSA-N
XLogP9.53
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene with MolForge

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
CID 163893675
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
23-(9-phenylcarbazol-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 145085317
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole-6-carbonitrile
CID 134597900
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
9-phenyl-18-(5-phenylnaphthalen-1-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170180072
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
The IUPAC name of 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene (CID 121446766) is 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene.
What is the SMILES notation for 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
The canonical SMILES for 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene is c1ccc(-n2c3ccccc3c3cc4c5c(c6ccccc6n5-c5ccccc5-c5ccccc5-4)c32)cc1.
What is the InChIKey of 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
The InChIKey is MHRBNNGXACDDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-2-12-23(13-3-1)37-31-19-9-7-17-27(31)30-22-29-25-15-5-4-14-24(25)26-16-6-10-20-32(26)38-33-21-11-8-18-28(33)34(35(30)37)36(29)38/h1-22H.
What are the key properties of 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene has a molecular weight of 482.59 g/mol, XLogP of 9.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene is sourced from PubChem (CID 121446766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).