CID 134272873

C46H26N2 — CID 134272873

IUPAC—
SMILESc1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4cccnc4cc13)C21c2ccccc2-c2cc3cccnc3cc21
InChIInChI=1S/C46H26N2/c1-5-17-35-29(13-1)33-23-27-11-9-21-47-41(27)25-39(33)45(35)37-19-7-3-15-31(37)44-43(45)32-16-4-8-20-38(32)46(44)36-18-6-2-14-30(36)34-24-28-12-10-22-48-42(28)26-40(34)46/h1-26H
InChIKeyFDDKNDDHRPTECT-UHFFFAOYSA-N
MW606.73 g/mol
LogP10.35
Rot. Bonds

About CID 134272873

CID 134272873 (PubChem CID 134272873) has the molecular formula C46H26N2 and a molecular weight of 606.73 g/mol.

Molecular Properties

Compound NameCID 134272873
PubChem CID134272873
Molecular FormulaC46H26N2
Molecular Weight606.73 g/mol
Exact Mass606.21
IUPAC Name—
SMILESc1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4cccnc4cc13)C21c2ccccc2-c2cc3cccnc3cc21
InChIInChI=1S/C46H26N2/c1-5-17-35-29(13-1)33-23-27-11-9-21-47-41(27)25-39(33)45(35)37-19-7-3-15-31(37)44-43(45)32-16-4-8-20-38(32)46(44)36-18-6-2-14-30(36)34-24-28-12-10-22-48-42(28)26-40(34)46/h1-26H
InChIKeyFDDKNDDHRPTECT-UHFFFAOYSA-N
XLogP10.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 140845137
CID 140845137
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
CID 142453620
6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 151110061
15-tert-butylspiro[5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene-12,9'-fluorene]
CID 164748912
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
ethane;propane;spiro[3-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[5-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[8-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
CID 160869113
spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
9,9-dimethylfluorene;ethane;quinoline
CID 159714824
11,11'-spirobi[26,29-diazaheptacyclo[15.12.0.02,14.04,12.05,10.019,28.022,27]nonacosa-1(17),2,4(12),5,7,9,13,18,20,22(27),23,25,28-tridecaene]
CID 102220680
spiro[8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene-20,9'-fluorene]
CID 122631514
2'-(1,10-phenanthrolin-5-yl)spiro[2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 121308429

Frequently Asked Questions

What is the IUPAC name of CID 134272873?
The IUPAC name of CID 134272873 (CID 134272873) is not available.
What is the SMILES notation for CID 134272873?
The canonical SMILES for CID 134272873 is c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4cccnc4cc13)C21c2ccccc2-c2cc3cccnc3cc21.
What is the InChIKey of CID 134272873?
The InChIKey is FDDKNDDHRPTECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2/c1-5-17-35-29(13-1)33-23-27-11-9-21-47-41(27)25-39(33)45(35)37-19-7-3-15-31(37)44-43(45)32-16-4-8-20-38(32)46(44)36-18-6-2-14-30(36)34-24-28-12-10-22-48-42(28)26-40(34)46/h1-26H.
What are the key properties of CID 134272873?
CID 134272873 has a molecular weight of 606.73 g/mol, XLogP of 10.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134272873 is sourced from PubChem (CID 134272873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).