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

C41H27N7 — CID 130399482

IUPAC3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nncn6c6ccccc6n45)cc3)c3ccccc32)cc1
InChIInChI=1S/C41H27N7/c1-3-13-29(14-4-1)41(30-15-5-2-6-16-30)32-17-7-9-19-34(32)47(35-20-10-8-18-33(35)41)31-25-23-28(24-26-31)38-44-45-40-39-43-42-27-46(39)36-21-11-12-22-37(36)48(38)40/h1-27H
InChIKeyVYWLIZSESSRGRG-UHFFFAOYSA-N
MW617.72 g/mol
LogP8.76
Rot. Bonds4

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

3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (PubChem CID 130399482) has the molecular formula C41H27N7 and a molecular weight of 617.72 g/mol. Its IUPAC name is 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.

Molecular Properties

Compound Name3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
PubChem CID130399482
Molecular FormulaC41H27N7
Molecular Weight617.72 g/mol
Exact Mass617.23
IUPAC Name3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nncn6c6ccccc6n45)cc3)c3ccccc32)cc1
InChIInChI=1S/C41H27N7/c1-3-13-29(14-4-1)41(30-15-5-2-6-16-30)32-17-7-9-19-34(32)47(35-20-10-8-18-33(35)41)31-25-23-28(24-26-31)38-44-45-40-39-43-42-27-46(39)36-21-11-12-22-37(36)48(38)40/h1-27H
InChIKeyVYWLIZSESSRGRG-UHFFFAOYSA-N
XLogP8.76
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.72
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

10-[4-[10-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
CID 130399498
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
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
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
3-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068799
9-ethyl-9-phenyl-10-(4-phenylphenyl)acridine
CID 71004140
4-carbazol-9-yl-14,14-diphenyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 155605565

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The IUPAC name of 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (CID 130399482) is 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.
What is the SMILES notation for 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The canonical SMILES for 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nncn6c6ccccc6n45)cc3)c3ccccc32)cc1.
What is the InChIKey of 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The InChIKey is VYWLIZSESSRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N7/c1-3-13-29(14-4-1)41(30-15-5-2-6-16-30)32-17-7-9-19-34(32)47(35-20-10-8-18-33(35)41)31-25-23-28(24-26-31)38-44-45-40-39-43-42-27-46(39)36-21-11-12-22-37(36)48(38)40/h1-27H.
What are the key properties of 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene has a molecular weight of 617.72 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is sourced from PubChem (CID 130399482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).