11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene

C46H28N3P — CID 134317441

IUPAC11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene
SMILESc1ccc(N2c3cccc4c3p3c5c2cccc5n(-c2ccccc2)c2c5ccc6cccc7ccc(c5c76)c(c23)n4-c2ccccc2)cc1
InChIInChI=1S/C46H28N3P/c1-4-15-31(16-5-1)47-36-21-11-23-38-44(36)50-45-37(47)22-12-24-39(45)49(33-19-8-3-9-20-33)43-35-28-26-30-14-10-13-29-25-27-34(41(35)40(29)30)42(46(43)50)48(38)32-17-6-2-7-18-32/h1-28H
InChIKeyOMJVLUKCZXSYCB-UHFFFAOYSA-N
MW653.73 g/mol
LogP13.41
Rot. Bonds3

About 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene

11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene (PubChem CID 134317441) has the molecular formula C46H28N3P and a molecular weight of 653.73 g/mol. Its IUPAC name is 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene.

Molecular Properties

Compound Name11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene
PubChem CID134317441
Molecular FormulaC46H28N3P
Molecular Weight653.73 g/mol
Exact Mass653.20
IUPAC Name11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene
SMILESc1ccc(N2c3cccc4c3p3c5c2cccc5n(-c2ccccc2)c2c5ccc6cccc7ccc(c5c76)c(c23)n4-c2ccccc2)cc1
InChIInChI=1S/C46H28N3P/c1-4-15-31(16-5-1)47-36-21-11-23-38-44(36)50-45-37(47)22-12-24-39(45)49(33-19-8-3-9-20-33)43-35-28-26-30-14-10-13-29-25-27-34(41(35)40(29)30)42(46(43)50)48(38)32-17-6-2-7-18-32/h1-28H
InChIKeyOMJVLUKCZXSYCB-UHFFFAOYSA-N
XLogP13.41
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.73
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene with MolForge

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Related Compounds

4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene
CID 140849407
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 144609323
16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene
CID 90381333
9-carbazol-9-yl-18-phenyl-9,18-diazaoctacyclo[18.12.0.02,10.03,8.011,19.012,17.023,32.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(32),24,26,28,30-pentadecaene
CID 145105413
11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide
CID 134317375
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene
CID 146213255
9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
CID 90249088
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947

Frequently Asked Questions

What is the IUPAC name of 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene?
The IUPAC name of 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene (CID 134317441) is 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene.
What is the SMILES notation for 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene?
The canonical SMILES for 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene is c1ccc(N2c3cccc4c3p3c5c2cccc5n(-c2ccccc2)c2c5ccc6cccc7ccc(c5c76)c(c23)n4-c2ccccc2)cc1.
What is the InChIKey of 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene?
The InChIKey is OMJVLUKCZXSYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N3P/c1-4-15-31(16-5-1)47-36-21-11-23-38-44(36)50-45-37(47)22-12-24-39(45)49(33-19-8-3-9-20-33)43-35-28-26-30-14-10-13-29-25-27-34(41(35)40(29)30)42(46(43)50)48(38)32-17-6-2-7-18-32/h1-28H.
What are the key properties of 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene?
11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene has a molecular weight of 653.73 g/mol, XLogP of 13.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 134317441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).