CID 134272902

C80H50N2 — CID 134272902

IUPAC—
SMILESc1ccc(N(c2ccc3c(c2)C2(C4=C3C3(c5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc54)c4ccccc4-c4c3ccc3ccccc43)c3ccccc3-c3c2ccc2ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C80H50N2/c1-3-25-57(26-4-1)81(59-39-35-51-19-7-9-23-55(51)47-59)61-41-43-67-73(49-61)79(69-33-17-15-31-65(69)75-63-29-13-11-21-53(63)37-45-71(75)79)78-68-44-42-62(82(58-27-5-2-6-28-58)60-40-36-52-20-8-10-24-56(52)48-60)50-74(68)80(77(67)78)70-34-18-16-32-66(70)76-64-30-14-12-22-54(64)38-46-72(76)80/h1-50H
InChIKeyUPFIRXCBANMICX-UHFFFAOYSA-N
MW1039.29 g/mol
LogP20.81
Rot. Bonds6

About CID 134272902

CID 134272902 (PubChem CID 134272902) has the molecular formula C80H50N2 and a molecular weight of 1039.29 g/mol.

Molecular Properties

Compound NameCID 134272902
PubChem CID134272902
Molecular FormulaC80H50N2
Molecular Weight1039.29 g/mol
Exact Mass1038.40
IUPAC Name—
SMILESc1ccc(N(c2ccc3c(c2)C2(C4=C3C3(c5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc54)c4ccccc4-c4c3ccc3ccccc43)c3ccccc3-c3c2ccc2ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C80H50N2/c1-3-25-57(26-4-1)81(59-39-35-51-19-7-9-23-55(51)47-59)61-41-43-67-73(49-61)79(69-33-17-15-31-65(69)75-63-29-13-11-21-53(63)37-45-71(75)79)78-68-44-42-62(82(58-27-5-2-6-28-58)60-40-36-52-20-8-10-24-56(52)48-60)50-74(68)80(77(67)78)70-34-18-16-32-66(70)76-64-30-14-12-22-54(64)38-46-72(76)80/h1-50H
InChIKeyUPFIRXCBANMICX-UHFFFAOYSA-N
XLogP20.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.29
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 134272902 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

N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
7-N',7-N',17-N',17-N'-tetraphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137495014
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494328
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493452

Frequently Asked Questions

What is the IUPAC name of CID 134272902?
The IUPAC name of CID 134272902 (CID 134272902) is not available.
What is the SMILES notation for CID 134272902?
The canonical SMILES for CID 134272902 is c1ccc(N(c2ccc3c(c2)C2(C4=C3C3(c5cc(N(c6ccccc6)c6ccc7ccccc7c6)ccc54)c4ccccc4-c4c3ccc3ccccc43)c3ccccc3-c3c2ccc2ccccc32)c2ccc3ccccc3c2)cc1.
What is the InChIKey of CID 134272902?
The InChIKey is UPFIRXCBANMICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N2/c1-3-25-57(26-4-1)81(59-39-35-51-19-7-9-23-55(51)47-59)61-41-43-67-73(49-61)79(69-33-17-15-31-65(69)75-63-29-13-11-21-53(63)37-45-71(75)79)78-68-44-42-62(82(58-27-5-2-6-28-58)60-40-36-52-20-8-10-24-56(52)48-60)50-74(68)80(77(67)78)70-34-18-16-32-66(70)76-64-30-14-12-22-54(64)38-46-72(76)80/h1-50H.
What are the key properties of CID 134272902?
CID 134272902 has a molecular weight of 1039.29 g/mol, XLogP of 20.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134272902 is sourced from PubChem (CID 134272902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).