CID 123147498

C24H20B — CID 123147498

IUPAC—
SMILESC[B]c1ccc2ccc3cc4c(cc3c2c1)C(C)(C)c1ccccc1-4
InChIInChI=1S/C24H20B/c1-24(2)22-7-5-4-6-18(22)21-12-16-9-8-15-10-11-17(25-3)13-19(15)20(16)14-23(21)24/h4-14H,1-3H3
InChIKeySAOFYIHYQKMAQJ-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.68
Rot. Bonds1

About CID 123147498

CID 123147498 (PubChem CID 123147498) has the molecular formula C24H20B and a molecular weight of 319.24 g/mol.

Molecular Properties

Compound NameCID 123147498
PubChem CID123147498
Molecular FormulaC24H20B
Molecular Weight319.24 g/mol
Exact Mass319.17
IUPAC Name—
SMILESC[B]c1ccc2ccc3cc4c(cc3c2c1)C(C)(C)c1ccccc1-4
InChIInChI=1S/C24H20B/c1-24(2)22-7-5-4-6-18(22)21-12-16-9-8-15-10-11-17(25-3)13-19(15)20(16)14-23(21)24/h4-14H,1-3H3
InChIKeySAOFYIHYQKMAQJ-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.68
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 123777516
CID 123777516
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-16-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123499931
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
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-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
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
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
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

Frequently Asked Questions

What is the IUPAC name of CID 123147498?
The IUPAC name of CID 123147498 (CID 123147498) is not available.
What is the SMILES notation for CID 123147498?
The canonical SMILES for CID 123147498 is C[B]c1ccc2ccc3cc4c(cc3c2c1)C(C)(C)c1ccccc1-4.
What is the InChIKey of CID 123147498?
The InChIKey is SAOFYIHYQKMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B/c1-24(2)22-7-5-4-6-18(22)21-12-16-9-8-15-10-11-17(25-3)13-19(15)20(16)14-23(21)24/h4-14H,1-3H3.
What are the key properties of CID 123147498?
CID 123147498 has a molecular weight of 319.24 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123147498 is sourced from PubChem (CID 123147498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).