16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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

C29H20NP — CID 126632532

IUPAC16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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
SMILESCn1c2ccccc2c2cc3c4ccc5ccccc5c4p(-c4ccccc4)c3cc21
InChIInChI=1S/C29H20NP/c1-30-26-14-8-7-13-22(26)24-17-25-23-16-15-19-9-5-6-12-21(19)29(23)31(28(25)18-27(24)30)20-10-3-2-4-11-20/h2-18H,1H3
InChIKeyQBAGTOPBRSHBFM-UHFFFAOYSA-N
MW413.46 g/mol
LogP8.77
Rot. Bonds1

About 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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

16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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 (PubChem CID 126632532) has the molecular formula C29H20NP and a molecular weight of 413.46 g/mol. Its IUPAC name is 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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.

Molecular Properties

Compound Name16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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
PubChem CID126632532
Molecular FormulaC29H20NP
Molecular Weight413.46 g/mol
Exact Mass413.13
IUPAC Name16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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
SMILESCn1c2ccccc2c2cc3c4ccc5ccccc5c4p(-c4ccccc4)c3cc21
InChIInChI=1S/C29H20NP/c1-30-26-14-8-7-13-22(26)24-17-25-23-16-15-19-9-5-6-12-21(19)29(23)31(28(25)18-27(24)30)20-10-3-2-4-11-20/h2-18H,1H3
InChIKeyQBAGTOPBRSHBFM-UHFFFAOYSA-N
XLogP8.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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 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

12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
(9-methylcarbazol-2-yl)-triphenylsilane
CID 168811045
7-methyl-[1]benzoselenolo[2,3-b]carbazole
CID 158696762
ethane;bis(9-methylcarbazole)
CID 159710949
2-ethyl-9-methylcarbazole
CID 71038255
7-methyl-8-(5-phenylbenzo[b]phosphindol-3-yl)benzo[c]carbazole
CID 126631847
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
ethane;9-methylcarbazole;triphenylene
CID 142356751
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592
6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
CID 12584877
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole
CID 157216212

Frequently Asked Questions

What is the IUPAC name of 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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?
The IUPAC name of 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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 126632532) is 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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.
What is the SMILES notation for 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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?
The canonical SMILES for 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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 is Cn1c2ccccc2c2cc3c4ccc5ccccc5c4p(-c4ccccc4)c3cc21.
What is the InChIKey of 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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?
The InChIKey is QBAGTOPBRSHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20NP/c1-30-26-14-8-7-13-22(26)24-17-25-23-16-15-19-9-5-6-12-21(19)29(23)31(28(25)18-27(24)30)20-10-3-2-4-11-20/h2-18H,1H3.
What are the key properties of 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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?
16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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 has a molecular weight of 413.46 g/mol, XLogP of 8.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[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 is sourced from PubChem (CID 126632532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).