CID 163822148

C36H22BNS — CID 163822148

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc(-c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C36H22BNS/c37-27-14-16-34-30(22-27)29-19-25(11-15-33(29)38(34)28-9-5-2-6-10-28)26-13-18-36-32(21-26)31-20-24(12-17-35(31)39-36)23-7-3-1-4-8-23/h1-22H
InChIKeyHMXNVWIWCYUJLA-UHFFFAOYSA-N
MW511.46 g/mol
LogP9.28
Rot. Bonds3

About CID 163822148

CID 163822148 (PubChem CID 163822148) has the molecular formula C36H22BNS and a molecular weight of 511.46 g/mol.

Molecular Properties

Compound NameCID 163822148
PubChem CID163822148
Molecular FormulaC36H22BNS
Molecular Weight511.46 g/mol
Exact Mass511.16
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc(-c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C36H22BNS/c37-27-14-16-34-30(22-27)29-19-25(11-15-33(29)38(34)28-9-5-2-6-10-28)26-13-18-36-32(21-26)31-20-24(12-17-35(31)39-36)23-7-3-1-4-8-23/h1-22H
InChIKeyHMXNVWIWCYUJLA-UHFFFAOYSA-N
XLogP9.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.46
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
2,6,9-triphenyl-5-[8-(2,6,9-triphenylindolo[2,3-b]indol-5-yl)dibenzothiophen-2-yl]indolo[2,3-b]indole
CID 152801477
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087

Frequently Asked Questions

What is the IUPAC name of CID 163822148?
The IUPAC name of CID 163822148 (CID 163822148) is not available.
What is the SMILES notation for CID 163822148?
The canonical SMILES for CID 163822148 is [B]c1ccc2c(c1)c1cc(-c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of CID 163822148?
The InChIKey is HMXNVWIWCYUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BNS/c37-27-14-16-34-30(22-27)29-19-25(11-15-33(29)38(34)28-9-5-2-6-10-28)26-13-18-36-32(21-26)31-20-24(12-17-35(31)39-36)23-7-3-1-4-8-23/h1-22H.
What are the key properties of CID 163822148?
CID 163822148 has a molecular weight of 511.46 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163822148 is sourced from PubChem (CID 163822148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).