30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene

C46H28N2 — CID 146334636

IUPAC30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
SMILESc1ccc(-c2ccccc2-c2cccc(-n3c4cccc5c6ccccc6n6c7c8ccccc8ccc7c7ccc3c(c54)c76)c2)cc1
InChIInChI=1S/C46H28N2/c1-2-12-29(13-3-1)33-17-6-7-18-34(33)31-15-10-16-32(28-31)47-41-23-11-21-37-36-20-8-9-22-40(36)48-45-35-19-5-4-14-30(35)24-25-38(45)39-26-27-42(47)44(43(37)41)46(39)48/h1-28H
InChIKeyKNZXDQWUVBDQKC-UHFFFAOYSA-N
MW608.74 g/mol
LogP12.42
Rot. Bonds3

About 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene

30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene (PubChem CID 146334636) has the molecular formula C46H28N2 and a molecular weight of 608.74 g/mol. Its IUPAC name is 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene.

Molecular Properties

Compound Name30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
PubChem CID146334636
Molecular FormulaC46H28N2
Molecular Weight608.74 g/mol
Exact Mass608.23
IUPAC Name30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
SMILESc1ccc(-c2ccccc2-c2cccc(-n3c4cccc5c6ccccc6n6c7c8ccccc8ccc7c7ccc3c(c54)c76)c2)cc1
InChIInChI=1S/C46H28N2/c1-2-12-29(13-3-1)33-17-6-7-18-34(33)31-15-10-16-32(28-31)47-41-23-11-21-37-36-20-8-9-22-40(36)48-45-35-19-5-4-14-30(35)24-25-38(45)39-26-27-42(47)44(43(37)41)46(39)48/h1-28H
InChIKeyKNZXDQWUVBDQKC-UHFFFAOYSA-N
XLogP12.42
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;12-[3-(2-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;26-[3-(2-phenylphenyl)phenyl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 163533742
13-(9-phenylcarbazol-3-yl)-15,20-diazadecacyclo[18.14.1.14,8.02,19.03,16.09,14.021,30.022,27.031,35.015,36]hexatriaconta-1(34),2(19),3(16),4,6,8(36),9(14),10,12,17,21(30),22,24,26,28,31(35),32-heptadecaene
CID 169057065
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
6-(3-naphthalen-1-ylphenyl)-1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
CID 142290260
26-(9-phenylcarbazol-3-yl)-5,24-diazadecacyclo[22.10.1.15,12.02,23.03,20.04,17.06,11.025,30.031,35.016,36]hexatriaconta-1(34),2(23),3(20),4(17),6,8,10,12(36),13,15,18,21,25(30),26,28,31(35),32-heptadecaene
CID 169056728
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770140
10-phenyl-1,10-diazaoctacyclo[16.10.2.02,14.03,11.04,9.015,29.022,30.023,28]triaconta-2(14),3(11),4,6,8,12,15(29),16,18(30),19,21,23,25,27-tetradecaene
CID 171084604
23-(4-naphthalen-1-ylphenyl)-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 170180127
11-[3-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 167209952
23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 154947961

Frequently Asked Questions

What is the IUPAC name of 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
The IUPAC name of 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene (CID 146334636) is 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene.
What is the SMILES notation for 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
The canonical SMILES for 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene is c1ccc(-c2ccccc2-c2cccc(-n3c4cccc5c6ccccc6n6c7c8ccccc8ccc7c7ccc3c(c54)c76)c2)cc1.
What is the InChIKey of 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
The InChIKey is KNZXDQWUVBDQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2/c1-2-12-29(13-3-1)33-17-6-7-18-34(33)31-15-10-16-32(28-31)47-41-23-11-21-37-36-20-8-9-22-40(36)48-45-35-19-5-4-14-30(35)24-25-38(45)39-26-27-42(47)44(43(37)41)46(39)48/h1-28H.
What are the key properties of 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene has a molecular weight of 608.74 g/mol, XLogP of 12.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene is sourced from PubChem (CID 146334636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).