13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene

C43H27N3 — CID 176917206

IUPAC13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-n3c4ccc5c6ccccc6[nH]c5c4c4c5[nH]c6ccccc6c5cc2c43)cc1
InChIInChI=1S/C43H27N3/c1-3-13-26(14-4-1)43(27-15-5-2-6-16-27)32-19-9-12-22-36(32)46-37-24-23-30-28-17-7-10-20-34(28)44-40(30)38(37)39-41-31(25-33(43)42(39)46)29-18-8-11-21-35(29)45-41/h1-25,44-45H
InChIKeyCFZVOYGQRDIARZ-UHFFFAOYSA-N
MW585.71 g/mol
LogP10.75
Rot. Bonds2

About 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene

13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene (PubChem CID 176917206) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene.

Molecular Properties

Compound Name13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene
PubChem CID176917206
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-n3c4ccc5c6ccccc6[nH]c5c4c4c5[nH]c6ccccc6c5cc2c43)cc1
InChIInChI=1S/C43H27N3/c1-3-13-26(14-4-1)43(27-15-5-2-6-16-27)32-19-9-12-22-36(32)46-37-24-23-30-28-17-7-10-20-34(28)44-40(30)38(37)39-41-31(25-33(43)42(39)46)29-18-8-11-21-35(29)45-41/h1-25,44-45H
InChIKeyCFZVOYGQRDIARZ-UHFFFAOYSA-N
XLogP10.75
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 510.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene with MolForge

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Related Compounds

15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965447
13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 140853285
23,23-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545864
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
18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184382
10'-phenylspiro[4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene-15,9'-acridine]
CID 176917224
1-[3-(9-phenylfluoren-9-yl)phenyl]-9H-carbazole
CID 154322481
CID 174017519
CID 174017519
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
13-(4-chlorophenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139340772

Frequently Asked Questions

What is the IUPAC name of 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene?
The IUPAC name of 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene (CID 176917206) is 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene.
What is the SMILES notation for 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene?
The canonical SMILES for 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene is c1ccc(C2(c3ccccc3)c3ccccc3-n3c4ccc5c6ccccc6[nH]c5c4c4c5[nH]c6ccccc6c5cc2c43)cc1.
What is the InChIKey of 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene?
The InChIKey is CFZVOYGQRDIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-13-26(14-4-1)43(27-15-5-2-6-16-27)32-19-9-12-22-36(32)46-37-24-23-30-28-17-7-10-20-34(28)44-40(30)38(37)39-41-31(25-33(43)42(39)46)29-18-8-11-21-35(29)45-41/h1-25,44-45H.
What are the key properties of 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene?
13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene has a molecular weight of 585.71 g/mol, XLogP of 10.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene is sourced from PubChem (CID 176917206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).