CID 134551622

C56H35N — CID 134551622

IUPAC—
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C56H35N/c1-2-18-36(19-3-1)37-20-8-16-32-52(37)57-53-33-17-9-25-42(53)43-34-50-51(35-54(43)57)56(46-28-12-6-23-40(46)41-24-7-13-29-47(41)56)49-31-15-14-30-48(49)55(50)44-26-10-4-21-38(44)39-22-5-11-27-45(39)55/h1-35H
InChIKeyHGSJIZPJOVSKEV-UHFFFAOYSA-N
MW721.90 g/mol
LogP13.49
Rot. Bonds2

About CID 134551622

CID 134551622 (PubChem CID 134551622) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol.

Molecular Properties

Compound NameCID 134551622
PubChem CID134551622
Molecular FormulaC56H35N
Molecular Weight721.90 g/mol
Exact Mass721.28
IUPAC Name—
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C56H35N/c1-2-18-36(19-3-1)37-20-8-16-32-52(37)57-53-33-17-9-25-42(53)43-34-50-51(35-54(43)57)56(46-28-12-6-23-40(46)41-24-7-13-29-47(41)56)49-31-15-14-30-48(49)55(50)44-26-10-4-21-38(44)39-22-5-11-27-45(39)55/h1-35H
InChIKeyHGSJIZPJOVSKEV-UHFFFAOYSA-N
XLogP13.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 153465943
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590608
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590571
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
CID 158608032
CID 158608032
CID 134551656
CID 134551656
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
CID 134551634
CID 134551634
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
CID 121385110
CID 121385110
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366

Frequently Asked Questions

What is the IUPAC name of CID 134551622?
The IUPAC name of CID 134551622 (CID 134551622) is not available.
What is the SMILES notation for CID 134551622?
The canonical SMILES for CID 134551622 is c1ccc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 134551622?
The InChIKey is HGSJIZPJOVSKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-2-18-36(19-3-1)37-20-8-16-32-52(37)57-53-33-17-9-25-42(53)43-34-50-51(35-54(43)57)56(46-28-12-6-23-40(46)41-24-7-13-29-47(41)56)49-31-15-14-30-48(49)55(50)44-26-10-4-21-38(44)39-22-5-11-27-45(39)55/h1-35H.
What are the key properties of CID 134551622?
CID 134551622 has a molecular weight of 721.90 g/mol, XLogP of 13.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551622 is sourced from PubChem (CID 134551622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).