N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

C31H28NP — CID 134957324

IUPACN-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESCc1cc(C)cc(N(C)P2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)c1
InChIInChI=1S/C31H28NP/c1-21-16-22(2)18-27(17-21)32(3)33-19-25-14-12-23-8-4-6-10-28(23)30(25)31-26(20-33)15-13-24-9-5-7-11-29(24)31/h4-18H,19-20H2,1-3H3
InChIKeySVWHMIGRSXHAPC-UHFFFAOYSA-N
MW445.55 g/mol
LogP8.82
Rot. Bonds2

About N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (PubChem CID 134957324) has the molecular formula C31H28NP and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
PubChem CID134957324
Molecular FormulaC31H28NP
Molecular Weight445.55 g/mol
Exact Mass445.20
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESCc1cc(C)cc(N(C)P2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)c1
InChIInChI=1S/C31H28NP/c1-21-16-22(2)18-27(17-21)32(3)33-19-25-14-12-23-8-4-6-10-28(23)30(25)31-26(20-33)15-13-24-9-5-7-11-29(24)31/h4-18H,19-20H2,1-3H3
InChIKeySVWHMIGRSXHAPC-UHFFFAOYSA-N
XLogP8.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine with MolForge

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Related Compounds

N,N-diethyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 11280547
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
5-methylbenzo[b]phosphindole;13-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 158966433
13-(2,3,4,5,6-pentadeuteriophenyl)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 12990043
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
13-methyl-13-sulfanylidene-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 21052126
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
bis(13-cyclopenta-2,4-dien-1-yl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene);iron
CID 170907168
N-(3,5-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 70891373
13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 20606138
cis-(1R,2S)-1-N,2-N-bis(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexane-1,2-diamine
CID 101184623

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (CID 134957324) is N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is Cc1cc(C)cc(N(C)P2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The InChIKey is SVWHMIGRSXHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NP/c1-21-16-22(2)18-27(17-21)32(3)33-19-25-14-12-23-8-4-6-10-28(23)30(25)31-26(20-33)15-13-24-9-5-7-11-29(24)31/h4-18H,19-20H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine has a molecular weight of 445.55 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is sourced from PubChem (CID 134957324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).