1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea

C39H28Cl2N4O2 — CID 4922946

IUPAC1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea
SMILESO=C(Nc1ccc(C2(c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c3ccccc3-c3ccccc32)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C39H28Cl2N4O2/c40-27-7-5-9-31(23-27)44-37(46)42-29-19-15-25(16-20-29)39(35-13-3-1-11-33(35)34-12-2-4-14-36(34)39)26-17-21-30(22-18-26)43-38(47)45-32-10-6-8-28(41)24-32/h1-24H,(H2,42,44,46)(H2,43,45,47)
InChIKeyVLIHILFSJIFDSK-UHFFFAOYSA-N
MW655.59 g/mol
LogP10.64
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea

1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea (PubChem CID 4922946) has the molecular formula C39H28Cl2N4O2 and a molecular weight of 655.59 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea
PubChem CID4922946
Molecular FormulaC39H28Cl2N4O2
Molecular Weight655.59 g/mol
Exact Mass654.16
IUPAC Name1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea
SMILESO=C(Nc1ccc(C2(c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c3ccccc3-c3ccccc32)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C39H28Cl2N4O2/c40-27-7-5-9-31(23-27)44-37(46)42-29-19-15-25(16-20-29)39(35-13-3-1-11-33(35)34-12-2-4-14-36(34)39)26-17-21-30(22-18-26)43-38(47)45-32-10-6-8-28(41)24-32/h1-24H,(H2,42,44,46)(H2,43,45,47)
InChIKeyVLIHILFSJIFDSK-UHFFFAOYSA-N
XLogP10.64
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.59
LogP ≤ 510.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea 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 168763640
CID 168763640
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
CID 73055968
CID 73055968
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea (CID 4922946) is 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea is O=C(Nc1ccc(C2(c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c3ccccc3-c3ccccc32)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea?
The InChIKey is VLIHILFSJIFDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28Cl2N4O2/c40-27-7-5-9-31(23-27)44-37(46)42-29-19-15-25(16-20-29)39(35-13-3-1-11-33(35)34-12-2-4-14-36(34)39)26-17-21-30(22-18-26)43-38(47)45-32-10-6-8-28(41)24-32/h1-24H,(H2,42,44,46)(H2,43,45,47).
What are the key properties of 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea?
1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea has a molecular weight of 655.59 g/mol, XLogP of 10.64, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-[9-[4-[(3-chlorophenyl)carbamoylamino]phenyl]fluoren-9-yl]phenyl]urea is sourced from PubChem (CID 4922946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).