3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

C34H24N2 — CID 154591792

IUPAC3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESCc1nc2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc3c(C)nc4cccc1c4c23
InChIInChI=1S/C34H24N2/c1-21-29-9-6-10-31-33(29)34-30(22(2)35-31)19-28(20-32(34)36-21)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-7-4-3-5-8-23/h3-20H,1-2H3
InChIKeyFRJZNMCWXKHZKP-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.99
Rot. Bonds3

About 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene

3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (PubChem CID 154591792) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.

Molecular Properties

Compound Name3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
PubChem CID154591792
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
SMILESCc1nc2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc3c(C)nc4cccc1c4c23
InChIInChI=1S/C34H24N2/c1-21-29-9-6-10-31-33(29)34-30(22(2)35-31)19-28(20-32(34)36-21)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-7-4-3-5-8-23/h3-20H,1-2H3
InChIKeyFRJZNMCWXKHZKP-UHFFFAOYSA-N
XLogP8.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene with MolForge

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Related Compounds

3,10-dimethyl-6-phenanthren-9-yl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591764
6-(6-anthracen-2-ylnaphthalen-2-yl)-3,10-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591772
6,13-bis(9,9-dimethylfluoren-2-yl)-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591787
1,3,5-trimethylbenzo[c][2,6]naphthyridine
CID 118895235
2,8-diphenylperylene
CID 59642615
4-methyl-6-(3-methylphenyl)quinazolin-2-amine
CID 118084368
2,4-dimethyl-6-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine
CID 130355599
1-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2-phenylbenzimidazole
CID 167410373
1-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-2-phenylbenzimidazole
CID 167411818
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7-methyl-1,2-diphenylbenzimidazole
CID 58953606

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The IUPAC name of 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene (CID 154591792) is 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene.
What is the SMILES notation for 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The canonical SMILES for 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is Cc1nc2cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc3c(C)nc4cccc1c4c23.
What is the InChIKey of 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
The InChIKey is FRJZNMCWXKHZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-21-29-9-6-10-31-33(29)34-30(22(2)35-31)19-28(20-32(34)36-21)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-7-4-3-5-8-23/h3-20H,1-2H3.
What are the key properties of 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene?
3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene has a molecular weight of 460.58 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-6-[4-(4-phenylphenyl)phenyl]-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene is sourced from PubChem (CID 154591792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).