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

C31H23NO — CID 137271237

IUPAC1-(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
SMILESOc1ccc2ccccc2c1-c1nc2c(c3c1-c1ccccc1CC3)-c1ccccc1CC2
InChIInChI=1S/C31H23NO/c33-27-18-15-21-9-3-6-12-24(21)30(27)31-29-23-11-5-2-7-19(23)13-16-25(29)28-22-10-4-1-8-20(22)14-17-26(28)32-31/h1-12,15,18,33H,13-14,16-17H2
InChIKeyONVPBVZDVDSFSC-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.14
Rot. Bonds1

About 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

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 (PubChem CID 137271237) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID137271237
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name1-(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
SMILESOc1ccc2ccccc2c1-c1nc2c(c3c1-c1ccccc1CC3)-c1ccccc1CC2
InChIInChI=1S/C31H23NO/c33-27-18-15-21-9-3-6-12-24(21)30(27)31-29-23-11-5-2-7-19(23)13-16-25(29)28-22-10-4-1-8-20(22)14-17-26(28)32-31/h1-12,15,18,33H,13-14,16-17H2
InChIKeyONVPBVZDVDSFSC-UHFFFAOYSA-N
XLogP7.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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CID 144726294
3-hydroxy-1-phenanthren-2-yl-9,10-dihydrophenanthrene-4-carbonitrile
CID 101362889
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
CID 141414000
[2-(12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaen-13-yl)-4-bromophenoxy]-difluoroborane
CID 132570037
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
1-(2-methylquinazolin-4-yl)naphthalen-2-ol
CID 136883964
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc2ccccc2c1-c1nc2c(c3c1-c1ccccc1CC3)-c1ccccc1CC2.
What is the InChIKey of 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?
The InChIKey is ONVPBVZDVDSFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c33-27-18-15-21-9-3-6-12-24(21)30(27)31-29-23-11-5-2-7-19(23)13-16-25(29)28-22-10-4-1-8-20(22)14-17-26(28)32-31/h1-12,15,18,33H,13-14,16-17H2.
What are the key properties of 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?
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 has a molecular weight of 425.53 g/mol, XLogP of 7.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137271237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).