N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine

C46H30BN3 — CID 174113307

IUPACN,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine
SMILESc1ccc(N2B3c4ccccc4-n4c5cc6ccccc6cc5c5c(N(c6ccccc6)c6ccccc6)cc(c3c54)-c3ccccc32)cc1
InChIInChI=1S/C46H30BN3/c1-4-18-33(19-5-1)48(34-20-6-2-7-21-34)43-30-37-36-24-12-14-26-40(36)50(35-22-8-3-9-23-35)47-39-25-13-15-27-41(39)49-42-29-32-17-11-10-16-31(32)28-38(42)44(43)46(49)45(37)47/h1-30H
InChIKeyNUVPOQUNVDSEPV-UHFFFAOYSA-N
MW635.58 g/mol
LogP10.64
Rot. Bonds4

About N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine

N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine (PubChem CID 174113307) has the molecular formula C46H30BN3 and a molecular weight of 635.58 g/mol. Its IUPAC name is N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine.

Molecular Properties

Compound NameN,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine
PubChem CID174113307
Molecular FormulaC46H30BN3
Molecular Weight635.58 g/mol
Exact Mass635.25
IUPAC NameN,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine
SMILESc1ccc(N2B3c4ccccc4-n4c5cc6ccccc6cc5c5c(N(c6ccccc6)c6ccccc6)cc(c3c54)-c3ccccc32)cc1
InChIInChI=1S/C46H30BN3/c1-4-18-33(19-5-1)48(34-20-6-2-7-21-34)43-30-37-36-24-12-14-26-40(36)50(35-22-8-3-9-23-35)47-39-25-13-15-27-41(39)49-42-29-32-17-11-10-16-31(32)28-38(42)44(43)46(49)45(37)47/h1-30H
InChIKeyNUVPOQUNVDSEPV-UHFFFAOYSA-N
XLogP10.64
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.58
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine with MolForge

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Related Compounds

N,N,2-triphenyl-12-thia-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.06,11.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,6,8,10,13,16,18,20,22,24,27,29,31,33-pentadecaen-18-amine
CID 174114021
18-(9,9-dimethylfluoren-4-yl)-9-phenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.021,26]hentriaconta-2,4,6,10,12,14,16,18,20(29),21,23,25,27,30-tetradecaene
CID 174113328
13,13,30-trimethyl-2-(4-methylphenyl)-N,N-diphenyl-2,26-diaza-1-boranonacyclo[17.13.2.03,15.06,14.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,6(14),7,9,11,16,18,20,22,24,27(32),28,30,33-pentadecaen-18-amine
CID 174114592
8,8,19-trimethyl-28-phenyl-1,28-diaza-29-boranonacyclo[15.14.1.02,7.03,29.09,32.010,15.018,31.021,30.022,27]dotriaconta-2,4,6,9(32),10,12,14,16,18(31),19,21(30),22,24,26-tetradecaene
CID 174113532
N-naphthalen-1-yl-N-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-5-amine
CID 90069910
8,8-dimethyl-19,28-diphenyl-1,28-diaza-29-boranonacyclo[15.14.1.02,7.03,29.09,32.010,15.018,31.021,30.022,27]dotriaconta-2,4,6,9(32),10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 174113533
24,24,36-trimethyl-16-pentyl-20-(4-pentylphenyl)-12,20-diaza-19-boradecacyclo[17.17.2.02,11.04,9.012,37.013,18.021,33.023,31.025,30.034,38]octatriaconta-1(37),2,4,6,8,10,13(18),14,16,21(33),22,25,27,29,31,34(38),35-heptadecaene
CID 174114403
14-tert-butyl-N,N-bis(4-tert-butylphenyl)-26-phenyl-3-oxa-18,26-diaza-25-boranonacyclo[16.14.2.02,10.04,9.011,34.012,17.019,24.025,33.027,32]tetratriaconta-1(33),2(10),4,6,8,11(34),12(17),13,15,19(24),20,22,27,29,31-pentadecaen-21-amine
CID 174126828
5,5,8,8-tetramethyl-N,N-diphenyl-13-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,13-diaza-12-boradecacyclo[18.17.2.02,11.04,9.012,39.014,19.021,26.027,38.028,37.030,35]nonatriaconta-2,4(9),10,14(19),15,17,20(39),21,23,25,27(38),28,30,32,34,36-hexadecaen-16-amine
CID 174115347
20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14,16,18-nonaene
CID 156761677
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
CID 154965954
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026

Frequently Asked Questions

What is the IUPAC name of N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine?
The IUPAC name of N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine (CID 174113307) is N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine.
What is the SMILES notation for N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine?
The canonical SMILES for N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine is c1ccc(N2B3c4ccccc4-n4c5cc6ccccc6cc5c5c(N(c6ccccc6)c6ccccc6)cc(c3c54)-c3ccccc32)cc1.
What is the InChIKey of N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine?
The InChIKey is NUVPOQUNVDSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30BN3/c1-4-18-33(19-5-1)48(34-20-6-2-7-21-34)43-30-37-36-24-12-14-26-40(36)50(35-22-8-3-9-23-35)47-39-25-13-15-27-41(39)49-42-29-32-17-11-10-16-31(32)28-38(42)44(43)46(49)45(37)47/h1-30H.
What are the key properties of N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine?
N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine has a molecular weight of 635.58 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-triphenyl-1,9-diaza-8-boraoctacyclo[14.13.2.02,7.08,31.010,15.019,30.020,29.022,27]hentriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28,30-tetradecaen-18-amine is sourced from PubChem (CID 174113307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).