CID 154610651

C44H30N6OPt — CID 154610651

IUPAC—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccc(-c6c(C)cccc6C)nc4n4ccnc54)[c-]c3c3nccn3c2n1.[Pt+2]
InChIInChI=1S/C44H30N6O.Pt/c1-25-7-5-8-26(2)39(25)37-17-15-33-31-13-11-29(23-35(31)41-45-19-21-49(41)43(33)47-37)51-30-12-14-32-34-16-18-38(40-27(3)9-6-10-28(40)4)48-44(34)50-22-20-46-42(50)36(32)24-30;/h5-22H,1-4H3;/q-2;+2
InChIKeyHKRQZOXRIMMFTF-UHFFFAOYSA-N
MW853.84 g/mol
LogP10.34
Rot. Bonds4

About CID 154610651

CID 154610651 (PubChem CID 154610651) has the molecular formula C44H30N6OPt and a molecular weight of 853.84 g/mol.

Molecular Properties

Compound NameCID 154610651
PubChem CID154610651
Molecular FormulaC44H30N6OPt
Molecular Weight853.84 g/mol
Exact Mass853.21
IUPAC Name—
SMILESCc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccc(-c6c(C)cccc6C)nc4n4ccnc54)[c-]c3c3nccn3c2n1.[Pt+2]
InChIInChI=1S/C44H30N6O.Pt/c1-25-7-5-8-26(2)39(25)37-17-15-33-31-13-11-29(23-35(31)41-45-19-21-49(41)43(33)47-37)51-30-12-14-32-34-16-18-38(40-27(3)9-6-10-28(40)4)48-44(34)50-22-20-46-42(50)36(32)24-30;/h5-22H,1-4H3;/q-2;+2
InChIKeyHKRQZOXRIMMFTF-UHFFFAOYSA-N
XLogP10.34
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.84
LogP ≤ 510.34
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 154610773
CID 154610773
CID 154611572
CID 154611572
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
6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611141
CID 154611242
CID 154611242
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 154610386
CID 154610386
CID 164703913
CID 164703913
5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610272
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 164704296
CID 164704296
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608

Frequently Asked Questions

What is the IUPAC name of CID 154610651?
The IUPAC name of CID 154610651 (CID 154610651) is not available.
What is the SMILES notation for CID 154610651?
The canonical SMILES for CID 154610651 is Cc1cccc(C)c1-c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccc(-c6c(C)cccc6C)nc4n4ccnc54)[c-]c3c3nccn3c2n1.[Pt+2].
What is the InChIKey of CID 154610651?
The InChIKey is HKRQZOXRIMMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6O.Pt/c1-25-7-5-8-26(2)39(25)37-17-15-33-31-13-11-29(23-35(31)41-45-19-21-49(41)43(33)47-37)51-30-12-14-32-34-16-18-38(40-27(3)9-6-10-28(40)4)48-44(34)50-22-20-46-42(50)36(32)24-30;/h5-22H,1-4H3;/q-2;+2.
What are the key properties of CID 154610651?
CID 154610651 has a molecular weight of 853.84 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610651 is sourced from PubChem (CID 154610651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).