4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol

C45H30N2O4 — CID 89390173

IUPAC4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol
SMILESCOc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3cc4c(cc32)C(c2ccc(N=O)cc2)(c2ccc(N=O)cc2)c2ccccc2-4)cc1
InChIInChI=1S/C45H30N2O4/c1-51-35-24-16-31(17-25-35)45(30-14-22-34(48)23-15-30)41-9-5-3-7-37(41)39-26-38-36-6-2-4-8-40(36)44(42(38)27-43(39)45,28-10-18-32(46-49)19-11-28)29-12-20-33(47-50)21-13-29/h2-27,48H,1H3
InChIKeyWPIZDFLOPYGSCS-UHFFFAOYSA-N
MW662.75 g/mol
LogP10.92
Rot. Bonds7

About 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol

4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol (PubChem CID 89390173) has the molecular formula C45H30N2O4 and a molecular weight of 662.75 g/mol. Its IUPAC name is 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol.

Molecular Properties

Compound Name4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol
PubChem CID89390173
Molecular FormulaC45H30N2O4
Molecular Weight662.75 g/mol
Exact Mass662.22
IUPAC Name4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol
SMILESCOc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3cc4c(cc32)C(c2ccc(N=O)cc2)(c2ccc(N=O)cc2)c2ccccc2-4)cc1
InChIInChI=1S/C45H30N2O4/c1-51-35-24-16-31(17-25-35)45(30-14-22-34(48)23-15-30)41-9-5-3-7-37(41)39-26-38-36-6-2-4-8-40(36)44(42(38)27-43(39)45,28-10-18-32(46-49)19-11-28)29-12-20-33(47-50)21-13-29/h2-27,48H,1H3
InChIKeyWPIZDFLOPYGSCS-UHFFFAOYSA-N
XLogP10.92
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.75
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol?
The IUPAC name of 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol (CID 89390173) is 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol.
What is the SMILES notation for 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol?
The canonical SMILES for 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol is COc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3cc4c(cc32)C(c2ccc(N=O)cc2)(c2ccc(N=O)cc2)c2ccccc2-4)cc1.
What is the InChIKey of 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol?
The InChIKey is WPIZDFLOPYGSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O4/c1-51-35-24-16-31(17-25-35)45(30-14-22-34(48)23-15-30)41-9-5-3-7-37(41)39-26-38-36-6-2-4-8-40(36)44(42(38)27-43(39)45,28-10-18-32(46-49)19-11-28)29-12-20-33(47-50)21-13-29/h2-27,48H,1H3.
What are the key properties of 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol?
4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol has a molecular weight of 662.75 g/mol, XLogP of 10.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-methoxyphenyl)-12,12-bis(4-nitrosophenyl)indeno[2,1-b]fluoren-10-yl]phenol is sourced from PubChem (CID 89390173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).