CID 164528475

C62H32N2O4 — CID 164528475

IUPAC—
SMILESO=C1c2cc3c(cc2C2c4ccccc4C24c2ccccc2C14)c1c2c4c(c5c6cc7c(cc6n3c15)C(=O)C1c3ccccc3C13c1ccccc1C73)Oc1ccccc1N4c1ccccc1O2
InChIInChI=1S/C62H32N2O4/c65-57-35-27-45-37(25-33(35)51-29-13-1-5-17-39(29)61(51)41-19-7-3-15-31(41)53(57)61)49-55-50(60-56-59(49)67-47-23-11-9-21-43(47)63(56)44-22-10-12-24-48(44)68-60)38-26-34-36(28-46(38)64(45)55)58(66)54-32-16-4-8-20-42(32)62(54)40-18-6-2-14-30(40)52(34)62/h1-28,51-54H
InChIKeyIZVYMBWNTOJAIA-UHFFFAOYSA-N
MW868.95 g/mol
LogP13.97
Rot. Bonds

About CID 164528475

CID 164528475 (PubChem CID 164528475) has the molecular formula C62H32N2O4 and a molecular weight of 868.95 g/mol.

Molecular Properties

Compound NameCID 164528475
PubChem CID164528475
Molecular FormulaC62H32N2O4
Molecular Weight868.95 g/mol
Exact Mass868.24
IUPAC Name—
SMILESO=C1c2cc3c(cc2C2c4ccccc4C24c2ccccc2C14)c1c2c4c(c5c6cc7c(cc6n3c15)C(=O)C1c3ccccc3C13c1ccccc1C73)Oc1ccccc1N4c1ccccc1O2
InChIInChI=1S/C62H32N2O4/c65-57-35-27-45-37(25-33(35)51-29-13-1-5-17-39(29)61(51)41-19-7-3-15-31(41)53(57)61)49-55-50(60-56-59(49)67-47-23-11-9-21-43(47)63(56)44-22-10-12-24-48(44)68-60)38-26-34-36(28-46(38)64(45)55)58(66)54-32-16-4-8-20-42(32)62(54)40-18-6-2-14-30(40)52(34)62/h1-28,51-54H
InChIKeyIZVYMBWNTOJAIA-UHFFFAOYSA-N
XLogP13.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.95
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 164528475 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 167124732
CID 167124732
28-tert-butyl-1-azahexadecacyclo[30.22.1.02,23.04,21.06,13.07,12.013,20.014,19.024,55.025,30.033,54.035,52.036,43.037,42.043,50.044,49]pentapentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28,30,32(55),33,35(52),37,39,41,44,46,48,53-tricosaene-5,51-dione
CID 167125386
29,33-ditert-butyl-26-oxa-1-azaoctadecacyclo[36.22.1.127,31.02,23.04,21.06,13.07,12.013,20.014,19.024,61.025,36.039,60.041,58.042,49.043,48.049,56.050,55.035,62]dohexaconta-2,4(21),7,9,11,14,16,18,22,24(61),25(36),27,29,31,33,35(62),37,39,41(58),43,45,47,50,52,54,59-hexacosaene-5,57-dione
CID 164528524
43-oxa-18-azaoctadecacyclo[46.6.6.210,13.16,18.02,47.03,44.04,42.07,17.09,15.019,40.021,38.023,37.024,29.030,37.031,36.049,54.055,60.041,61]trihexaconta-2(47),3(44),4(42),5,7,9(15),16,19,21(38),24,26,28,31,33,35,39,41(61),45,49,51,53,55,57,59-tetracosaene-14,22-dione
CID 164528548
26,26-dimethyl-1-azaheptadecacyclo[33.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,58.025,33.027,32.036,57.038,55.039,46.039,53.040,45.047,52]octapentaconta-2,4(21),7,9,11,14,16,18,22,24(58),25(33),27,29,31,34,36,38(55),40,42,44,47,49,51,56-tetracosaene-5,54-dione
CID 167125452
6,6,13,13-tetramethyl-1,4-diazatetradecacyclo[26.22.1.117,27.120,24.02,15.05,14.07,12.016,51.029,50.031,48.032,39.033,38.039,46.040,45]tripentaconta-2,4,7,9,11,14,16,20,22,24(53),27(52),28(51),29,31(48),33,35,37,40,42,44,49-henicosaen-47-one
CID 167124952
26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione
CID 164528294
45-azanonadecacyclo[48.6.6.14,23.02,49.03,46.06,22.07,14.08,13.014,21.015,20.024,44.025,41.026,33.027,32.033,40.034,39.051,56.057,62.045,63]trihexaconta-2(49),3(46),4,6(22),8,10,12,15,17,19,23(63),24(44),25(41),27,29,31,34,36,38,42,47,51,53,55,57,59,61-heptacosaene-42,48-dicarbonitrile
CID 164528644
7-phenyl-7,21,50-triazanonadecacyclo[53.2.2.213,16.226,29.242,45.15,50.19,33.02,53.04,51.06,36.08,35.010,20.012,18.022,32.024,30.039,49.041,47.021,63.038,60]heptahexaconta-2(53),3,5,8,10,12(18),19,22,24(30),31,33(63),34,36,38(60),39,41(47),48,51-octadecaene-17,25,46,54-tetrone
CID 164528431
26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione
CID 164983310
spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809024
42-oxa-29-azadodecacyclo[32.2.2.221,24.15,29.16,9.02,32.04,30.07,16.08,13.018,28.020,26.017,39]dotetraconta-2(32),3,5(39),6,8(13),9,11,14,16,18,20(26),27,30-tridecaene-25,33-dione
CID 167125525

Frequently Asked Questions

What is the IUPAC name of CID 164528475?
The IUPAC name of CID 164528475 (CID 164528475) is not available.
What is the SMILES notation for CID 164528475?
The canonical SMILES for CID 164528475 is O=C1c2cc3c(cc2C2c4ccccc4C24c2ccccc2C14)c1c2c4c(c5c6cc7c(cc6n3c15)C(=O)C1c3ccccc3C13c1ccccc1C73)Oc1ccccc1N4c1ccccc1O2.
What is the InChIKey of CID 164528475?
The InChIKey is IZVYMBWNTOJAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H32N2O4/c65-57-35-27-45-37(25-33(35)51-29-13-1-5-17-39(29)61(51)41-19-7-3-15-31(41)53(57)61)49-55-50(60-56-59(49)67-47-23-11-9-21-43(47)63(56)44-22-10-12-24-48(44)68-60)38-26-34-36(28-46(38)64(45)55)58(66)54-32-16-4-8-20-42(32)62(54)40-18-6-2-14-30(40)52(34)62/h1-28,51-54H.
What are the key properties of CID 164528475?
CID 164528475 has a molecular weight of 868.95 g/mol, XLogP of 13.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164528475 is sourced from PubChem (CID 164528475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).