CID 174134757

C48H24B8N2O — CID 174134757

IUPAC—
SMILES[B]c1c([B])c([B])c2c(oc3c2c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc2c3c3c([B])c([B])c([B])c([B])c3n2-c2ccccc2)c1[B]
InChIInChI=1S/C48H24B8N2O/c49-38-36-34-33(58(29-14-8-3-9-15-29)46(36)44(55)42(53)40(38)51)24-32(35-37-39(50)41(52)43(54)45(56)48(37)59-47(34)35)57(30-20-16-27(17-21-30)25-10-4-1-5-11-25)31-22-18-28(19-23-31)26-12-6-2-7-13-26/h1-24H
InChIKeyDEDVGLOOWYLSFL-UHFFFAOYSA-N
MW731.23 g/mol
LogP3.84
Rot. Bonds6

About CID 174134757

CID 174134757 (PubChem CID 174134757) has the molecular formula C48H24B8N2O and a molecular weight of 731.23 g/mol.

Molecular Properties

Compound NameCID 174134757
PubChem CID174134757
Molecular FormulaC48H24B8N2O
Molecular Weight731.23 g/mol
Exact Mass732.26
IUPAC Name—
SMILES[B]c1c([B])c([B])c2c(oc3c2c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc2c3c3c([B])c([B])c([B])c([B])c3n2-c2ccccc2)c1[B]
InChIInChI=1S/C48H24B8N2O/c49-38-36-34-33(58(29-14-8-3-9-15-29)46(36)44(55)42(53)40(38)51)24-32(35-37-39(50)41(52)43(54)45(56)48(37)59-47(34)35)57(30-20-16-27(17-21-30)25-10-4-1-5-11-25)31-22-18-28(19-23-31)26-12-6-2-7-13-26/h1-24H
InChIKeyDEDVGLOOWYLSFL-UHFFFAOYSA-N
XLogP3.84
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500731.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
CID 174072867
CID 174072867
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
CID 174083107
CID 174083107
CID 174063425
CID 174063425
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
CID 118410903
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487388
CID 174075069
CID 174075069
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N,N-diphenyl-3-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]aniline
CID 121286448
4-N,9-N,15-triphenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine
CID 90132616

Frequently Asked Questions

What is the IUPAC name of CID 174134757?
The IUPAC name of CID 174134757 (CID 174134757) is not available.
What is the SMILES notation for CID 174134757?
The canonical SMILES for CID 174134757 is [B]c1c([B])c([B])c2c(oc3c2c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc2c3c3c([B])c([B])c([B])c([B])c3n2-c2ccccc2)c1[B].
What is the InChIKey of CID 174134757?
The InChIKey is DEDVGLOOWYLSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24B8N2O/c49-38-36-34-33(58(29-14-8-3-9-15-29)46(36)44(55)42(53)40(38)51)24-32(35-37-39(50)41(52)43(54)45(56)48(37)59-47(34)35)57(30-20-16-27(17-21-30)25-10-4-1-5-11-25)31-22-18-28(19-23-31)26-12-6-2-7-13-26/h1-24H.
What are the key properties of CID 174134757?
CID 174134757 has a molecular weight of 731.23 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174134757 is sourced from PubChem (CID 174134757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).