(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene

C31H24N2 — CID 11796602

IUPAC(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2[C@@]2(c4ccccc4)C[C@@H](C3)c3ccccc32)cc1
InChIInChI=1S/C31H24N2/c1-4-12-22(13-5-1)30-29-28(33(32-30)25-16-8-3-9-17-25)20-23-21-31(29,24-14-6-2-7-15-24)27-19-11-10-18-26(23)27/h1-19,23H,20-21H2/t23-,31-/m1/s1
InChIKeyAITQBZCJUJNHGV-SLGOVJDISA-N
MW424.55 g/mol
LogP6.92
Rot. Bonds3

About (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene

(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene (PubChem CID 11796602) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene.

Molecular Properties

Compound Name(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
PubChem CID11796602
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2[C@@]2(c4ccccc4)C[C@@H](C3)c3ccccc32)cc1
InChIInChI=1S/C31H24N2/c1-4-12-22(13-5-1)30-29-28(33(32-30)25-16-8-3-9-17-25)20-23-21-31(29,24-14-6-2-7-15-24)27-19-11-10-18-26(23)27/h1-19,23H,20-21H2/t23-,31-/m1/s1
InChIKeyAITQBZCJUJNHGV-SLGOVJDISA-N
XLogP6.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene with MolForge

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Related Compounds

3-(4-nitrophenyl)-1,5-diphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 15440931
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole
CID 12713194
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620906
(3S)-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-2-one
CID 172724807
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4-cyclohexyl-1,5-diphenyl-3-(4-phenylphenyl)pyrazole
CID 134910224
1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene
CID 135029071
5'-bromo-11a-hydroxy-1'-methyl-8,10-diphenylspiro[6a,11-dihydrochromeno[3,4-f]indazole-7,3'-indole]-2',6-dione
CID 102297870
1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435120
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The IUPAC name of (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene (CID 11796602) is (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene.
What is the SMILES notation for (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The canonical SMILES for (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene is c1ccc(-c2nn(-c3ccccc3)c3c2[C@@]2(c4ccccc4)C[C@@H](C3)c3ccccc32)cc1.
What is the InChIKey of (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
The InChIKey is AITQBZCJUJNHGV-SLGOVJDISA-N. The full InChI is InChI=1S/C31H24N2/c1-4-12-22(13-5-1)30-29-28(33(32-30)25-16-8-3-9-17-25)20-23-21-31(29,24-14-6-2-7-15-24)27-19-11-10-18-26(23)27/h1-19,23H,20-21H2/t23-,31-/m1/s1.
What are the key properties of (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene?
(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene has a molecular weight of 424.55 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene is sourced from PubChem (CID 11796602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).