CID 123777516

C23H17B3 — CID 123777516

IUPAC—
SMILES[B][B][B]c1ccc2ccc3cc4c(cc3c2c1)C(C)(C)c1ccccc1-4
InChIInChI=1S/C23H17B3/c1-23(2)21-6-4-3-5-17(21)20-11-15-8-7-14-9-10-16(25-26-24)12-18(14)19(15)13-22(20)23/h3-13H,1-2H3
InChIKeyURQGZANIYVQLJS-UHFFFAOYSA-N
MW325.83 g/mol
LogP4.33
Rot. Bonds2

About CID 123777516

CID 123777516 (PubChem CID 123777516) has the molecular formula C23H17B3 and a molecular weight of 325.83 g/mol.

Molecular Properties

Compound NameCID 123777516
PubChem CID123777516
Molecular FormulaC23H17B3
Molecular Weight325.83 g/mol
Exact Mass326.16
IUPAC Name—
SMILES[B][B][B]c1ccc2ccc3cc4c(cc3c2c1)C(C)(C)c1ccccc1-4
InChIInChI=1S/C23H17B3/c1-23(2)21-6-4-3-5-17(21)20-11-15-8-7-14-9-10-16(25-26-24)12-18(14)19(15)13-22(20)23/h3-13H,1-2H3
InChIKeyURQGZANIYVQLJS-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 123147498
CID 123147498
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
CID 162244977
16,16-dimethylheptacyclo[15.12.0.02,15.04,13.06,11.019,28.020,25]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene;ethane
CID 90721632
17,17-dimethyl-7-(6-phenanthren-2-ylnaphthalen-2-yl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
CID 123522129
16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123367389
10,10-dimethyl-16-(3-phenyl-5-triphenylen-2-ylphenyl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 160900630
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
10,10-dimethyl-N-phenyl-N-triphenylen-2-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 168740172
3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
25,25-dimethylhexacyclo[12.11.0.03,12.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742057

Frequently Asked Questions

What is the IUPAC name of CID 123777516?
The IUPAC name of CID 123777516 (CID 123777516) is not available.
What is the SMILES notation for CID 123777516?
The canonical SMILES for CID 123777516 is [B][B][B]c1ccc2ccc3cc4c(cc3c2c1)C(C)(C)c1ccccc1-4.
What is the InChIKey of CID 123777516?
The InChIKey is URQGZANIYVQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17B3/c1-23(2)21-6-4-3-5-17(21)20-11-15-8-7-14-9-10-16(25-26-24)12-18(14)19(15)13-22(20)23/h3-13H,1-2H3.
What are the key properties of CID 123777516?
CID 123777516 has a molecular weight of 325.83 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123777516 is sourced from PubChem (CID 123777516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).