CID 166010749

C37H32N6OPt — CID 166010749

IUPAC—
SMILESCc1ccc2c3c1c1ccc(Oc4[c-]c(N5C6=NCCCN6c6cccnc65)ccc4)[c-]c1c1ncc(n13)C(C)(C)C2(C)C.[Pt+2]
InChIInChI=1S/C37H32N6O.Pt/c1-22-12-15-28-32-31(22)26-14-13-25(20-27(26)33-40-21-30(43(32)33)37(4,5)36(28,2)3)44-24-10-6-9-23(19-24)42-34-29(11-7-16-38-34)41-18-8-17-39-35(41)42;/h6-7,9-16,21H,8,17-18H2,1-5H3;/q-2;+2
InChIKeyAODADOBQBNBSGY-UHFFFAOYSA-N
MW771.78 g/mol
LogP8.02
Rot. Bonds3

About CID 166010749

CID 166010749 (PubChem CID 166010749) has the molecular formula C37H32N6OPt and a molecular weight of 771.78 g/mol.

Molecular Properties

Compound NameCID 166010749
PubChem CID166010749
Molecular FormulaC37H32N6OPt
Molecular Weight771.78 g/mol
Exact Mass771.23
IUPAC Name—
SMILESCc1ccc2c3c1c1ccc(Oc4[c-]c(N5C6=NCCCN6c6cccnc65)ccc4)[c-]c1c1ncc(n13)C(C)(C)C2(C)C.[Pt+2]
InChIInChI=1S/C37H32N6O.Pt/c1-22-12-15-28-32-31(22)26-14-13-25(20-27(26)33-40-21-30(43(32)33)37(4,5)36(28,2)3)44-24-10-6-9-23(19-24)42-34-29(11-7-16-38-34)41-18-8-17-39-35(41)42;/h6-7,9-16,21H,8,17-18H2,1-5H3;/q-2;+2
InChIKeyAODADOBQBNBSGY-UHFFFAOYSA-N
XLogP8.02
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.78
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 156623079
CID 156623079
CID 161171444
CID 161171444
10-deuterio-12,12,13,13,17-pentamethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
CID 140855336
CID 155643332
CID 155643332
CID 156667274
CID 156667274
11-[[5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611612
3-(2,3-dimethylbut-3-en-2-yl)-11-methoxy-8-methylimidazo[1,2-f]phenanthridine;5-methoxy-12,12,13,13,17-pentamethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
CID 159202397
3-[3-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]-14,14-dimethyl-21-phenyl-3,5,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene;platinum(2+)
CID 162483158
10-deuterio-12,12-difluoro-13,13,17-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
CID 140855449
CID 169309426
CID 169309426
11-[[7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611480
CID 154610649
CID 154610649

Frequently Asked Questions

What is the IUPAC name of CID 166010749?
The IUPAC name of CID 166010749 (CID 166010749) is not available.
What is the SMILES notation for CID 166010749?
The canonical SMILES for CID 166010749 is Cc1ccc2c3c1c1ccc(Oc4[c-]c(N5C6=NCCCN6c6cccnc65)ccc4)[c-]c1c1ncc(n13)C(C)(C)C2(C)C.[Pt+2].
What is the InChIKey of CID 166010749?
The InChIKey is AODADOBQBNBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N6O.Pt/c1-22-12-15-28-32-31(22)26-14-13-25(20-27(26)33-40-21-30(43(32)33)37(4,5)36(28,2)3)44-24-10-6-9-23(19-24)42-34-29(11-7-16-38-34)41-18-8-17-39-35(41)42;/h6-7,9-16,21H,8,17-18H2,1-5H3;/q-2;+2.
What are the key properties of CID 166010749?
CID 166010749 has a molecular weight of 771.78 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166010749 is sourced from PubChem (CID 166010749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).