14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene

C51H31N7S2 — CID 144918593

IUPAC14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene
SMILESc1ccc(-c2ccc(-c3nc4c5nsnc5c5nsnc5c4nc3-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C51H31N7S2/c1-4-14-32(15-5-1)33-24-26-34(27-25-33)43-44(53-46-45(52-43)47-49(56-59-54-47)50-48(46)55-60-57-50)35-28-30-38(31-29-35)58-41-22-12-10-20-39(41)51(36-16-6-2-7-17-36,37-18-8-3-9-19-37)40-21-11-13-23-42(40)58/h1-31H
InChIKeyRCNLMALRJDUEQY-UHFFFAOYSA-N
MW805.99 g/mol
LogP12.81
Rot. Bonds6

About 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene

14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene (PubChem CID 144918593) has the molecular formula C51H31N7S2 and a molecular weight of 805.99 g/mol. Its IUPAC name is 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene.

Molecular Properties

Compound Name14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene
PubChem CID144918593
Molecular FormulaC51H31N7S2
Molecular Weight805.99 g/mol
Exact Mass805.21
IUPAC Name14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene
SMILESc1ccc(-c2ccc(-c3nc4c5nsnc5c5nsnc5c4nc3-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C51H31N7S2/c1-4-14-32(15-5-1)33-24-26-34(27-25-33)43-44(53-46-45(52-43)47-49(56-59-54-47)50-48(46)55-60-57-50)35-28-30-38(31-29-35)58-41-22-12-10-20-39(41)51(36-16-6-2-7-17-36,37-18-8-3-9-19-37)40-21-11-13-23-42(40)58/h1-31H
InChIKeyRCNLMALRJDUEQY-UHFFFAOYSA-N
XLogP12.81
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene with MolForge

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Related Compounds

10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaene
CID 130399490
9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
CID 163970160
10-phenyl-9,9-bis(6-phenyl-2-pyridinyl)acridine
CID 71261593
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
9-ethyl-9-phenyl-10-(4-phenylphenyl)acridine
CID 71004140

Frequently Asked Questions

What is the IUPAC name of 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene?
The IUPAC name of 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene (CID 144918593) is 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene.
What is the SMILES notation for 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene?
The canonical SMILES for 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene is c1ccc(-c2ccc(-c3nc4c5nsnc5c5nsnc5c4nc3-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene?
The InChIKey is RCNLMALRJDUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N7S2/c1-4-14-32(15-5-1)33-24-26-34(27-25-33)43-44(53-46-45(52-43)47-49(56-59-54-47)50-48(46)55-60-57-50)35-28-30-38(31-29-35)58-41-22-12-10-20-39(41)51(36-16-6-2-7-17-36,37-18-8-3-9-19-37)40-21-11-13-23-42(40)58/h1-31H.
What are the key properties of 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene?
14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene has a molecular weight of 805.99 g/mol, XLogP of 12.81, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(9,9-diphenylacridin-10-yl)phenyl]-15-(4-phenylphenyl)-4,9-dithia-3,5,8,10,13,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2,5,7,10,13,15-heptaene is sourced from PubChem (CID 144918593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).