1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol

C46H32N2O2 — CID 136669307

IUPAC1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol
SMILESOc1ccc2c(c1-c1c(O)ccc3c1-c1nc4ccccc4c(-c4ccccc4)c1CC3)-c1nc3ccccc3c(-c3ccccc3)c1CC2
InChIInChI=1S/C46H32N2O2/c49-37-25-21-29-19-23-33-39(27-11-3-1-4-12-27)31-15-7-9-17-35(31)47-45(33)41(29)43(37)44-38(50)26-22-30-20-24-34-40(28-13-5-2-6-14-28)32-16-8-10-18-36(32)48-46(34)42(30)44/h1-18,21-22,25-26,49-50H,19-20,23-24H2
InChIKeyKZVCRXLJROEDEZ-UHFFFAOYSA-N
MW644.77 g/mol
LogP10.73
Rot. Bonds3

About 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol

1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol (PubChem CID 136669307) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol
PubChem CID136669307
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC Name1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol
SMILESOc1ccc2c(c1-c1c(O)ccc3c1-c1nc4ccccc4c(-c4ccccc4)c1CC3)-c1nc3ccccc3c(-c3ccccc3)c1CC2
InChIInChI=1S/C46H32N2O2/c49-37-25-21-29-19-23-33-39(27-11-3-1-4-12-27)31-15-7-9-17-35(31)47-45(33)41(29)43(37)44-38(50)26-22-30-20-24-34-40(28-13-5-2-6-14-28)32-16-8-10-18-36(32)48-46(34)42(30)44/h1-18,21-22,25-26,49-50H,19-20,23-24H2
InChIKeyKZVCRXLJROEDEZ-UHFFFAOYSA-N
XLogP10.73
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
9-phenylacridin-4-ol
CID 59256664
3-chloro-2,4-diphenylquinoline
CID 10781654
8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione
CID 15654558
10-phenyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline 2,2-dioxide
CID 71939780
1-phenylnaphthalene-2,7-diol
CID 118054370
9-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 177485700
2-bromo-5,6-dihydrobenzo[c]acridin-7-amine
CID 46889356
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 91485242
1-(12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaen-13-yl)naphthalen-2-ol
CID 137271237
2-(difluoromethyl)-3-methyl-4-phenylquinoline
CID 164676810
1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol?
The IUPAC name of 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol (CID 136669307) is 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol.
What is the SMILES notation for 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol?
The canonical SMILES for 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol is Oc1ccc2c(c1-c1c(O)ccc3c1-c1nc4ccccc4c(-c4ccccc4)c1CC3)-c1nc3ccccc3c(-c3ccccc3)c1CC2.
What is the InChIKey of 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol?
The InChIKey is KZVCRXLJROEDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c49-37-25-21-29-19-23-33-39(27-11-3-1-4-12-27)31-15-7-9-17-35(31)47-45(33)41(29)43(37)44-38(50)26-22-30-20-24-34-40(28-13-5-2-6-14-28)32-16-8-10-18-36(32)48-46(34)42(30)44/h1-18,21-22,25-26,49-50H,19-20,23-24H2.
What are the key properties of 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol?
1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol has a molecular weight of 644.77 g/mol, XLogP of 10.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridin-2-ol is sourced from PubChem (CID 136669307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).