CID 88964232

C34H20BN — CID 88964232

IUPAC—
SMILES[B]c1ccc2ccc3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4ccc1c2c43
InChIInChI=1S/C34H20BN/c35-30-18-13-22-11-16-27-25(15-10-21-12-17-28(30)34(22)33(21)27)23-14-19-32-29(20-23)26-8-4-5-9-31(26)36(32)24-6-2-1-3-7-24/h1-20H
InChIKeyWANSLEFLKGHFGW-UHFFFAOYSA-N
MW453.35 g/mol
LogP8.14
Rot. Bonds2

About CID 88964232

CID 88964232 (PubChem CID 88964232) has the molecular formula C34H20BN and a molecular weight of 453.35 g/mol.

Molecular Properties

Compound NameCID 88964232
PubChem CID88964232
Molecular FormulaC34H20BN
Molecular Weight453.35 g/mol
Exact Mass453.17
IUPAC Name—
SMILES[B]c1ccc2ccc3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4ccc1c2c43
InChIInChI=1S/C34H20BN/c35-30-18-13-22-11-16-27-25(15-10-21-12-17-28(30)34(22)33(21)27)23-14-19-32-29(20-23)26-8-4-5-9-31(26)36(32)24-6-2-1-3-7-24/h1-20H
InChIKeyWANSLEFLKGHFGW-UHFFFAOYSA-N
XLogP8.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.35
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 88964232 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

9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
CID 176780561
3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole
CID 58068217
7-phenyl-5-[6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyren-1-yl]indolo[2,3-b]carbazole
CID 118516736
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
CID 169035317
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349

Frequently Asked Questions

What is the IUPAC name of CID 88964232?
The IUPAC name of CID 88964232 (CID 88964232) is not available.
What is the SMILES notation for CID 88964232?
The canonical SMILES for CID 88964232 is [B]c1ccc2ccc3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc4ccc1c2c43.
What is the InChIKey of CID 88964232?
The InChIKey is WANSLEFLKGHFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20BN/c35-30-18-13-22-11-16-27-25(15-10-21-12-17-28(30)34(22)33(21)27)23-14-19-32-29(20-23)26-8-4-5-9-31(26)36(32)24-6-2-1-3-7-24/h1-20H.
What are the key properties of CID 88964232?
CID 88964232 has a molecular weight of 453.35 g/mol, XLogP of 8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88964232 is sourced from PubChem (CID 88964232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).