CID 134551803

C58H35N — CID 134551803

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5c6ccccc6ccc5n(-c5ccc6ccccc6c5)c4cc32)c2ccccc21
InChIInChI=1S/C58H35N/c1-2-17-38-33-39(31-29-36(38)15-1)59-54-32-30-37-16-3-4-18-40(37)56(54)45-34-44-43-21-7-10-24-48(43)58(53(44)35-55(45)59)51-27-13-11-25-49(51)57(50-26-12-14-28-52(50)58)46-22-8-5-19-41(46)42-20-6-9-23-47(42)57/h1-35H
InChIKeyBPBHVJGMCXAAFE-UHFFFAOYSA-N
MW745.93 g/mol
LogP14.13
Rot. Bonds1

About CID 134551803

CID 134551803 (PubChem CID 134551803) has the molecular formula C58H35N and a molecular weight of 745.93 g/mol.

Molecular Properties

Compound NameCID 134551803
PubChem CID134551803
Molecular FormulaC58H35N
Molecular Weight745.93 g/mol
Exact Mass745.28
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5c6ccccc6ccc5n(-c5ccc6ccccc6c5)c4cc32)c2ccccc21
InChIInChI=1S/C58H35N/c1-2-17-38-33-39(31-29-36(38)15-1)59-54-32-30-37-16-3-4-18-40(37)56(54)45-34-44-43-21-7-10-24-48(43)58(53(44)35-55(45)59)51-27-13-11-25-49(51)57(50-26-12-14-28-52(50)58)46-22-8-5-19-41(46)42-20-6-9-23-47(42)57/h1-35H
InChIKeyBPBHVJGMCXAAFE-UHFFFAOYSA-N
XLogP14.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.93
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134551673
CID 134551673
CID 134551919
CID 134551919
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
12-naphthalen-2-ylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
CID 134555374
7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]
CID 137457126
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
7-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylbenzo[c]carbazole
CID 134528115
12-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 170042206
12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 144911543
7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370703
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373

Frequently Asked Questions

What is the IUPAC name of CID 134551803?
The IUPAC name of CID 134551803 (CID 134551803) is not available.
What is the SMILES notation for CID 134551803?
The canonical SMILES for CID 134551803 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5c6ccccc6ccc5n(-c5ccc6ccccc6c5)c4cc32)c2ccccc21.
What is the InChIKey of CID 134551803?
The InChIKey is BPBHVJGMCXAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N/c1-2-17-38-33-39(31-29-36(38)15-1)59-54-32-30-37-16-3-4-18-40(37)56(54)45-34-44-43-21-7-10-24-48(43)58(53(44)35-55(45)59)51-27-13-11-25-49(51)57(50-26-12-14-28-52(50)58)46-22-8-5-19-41(46)42-20-6-9-23-47(42)57/h1-35H.
What are the key properties of CID 134551803?
CID 134551803 has a molecular weight of 745.93 g/mol, XLogP of 14.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551803 is sourced from PubChem (CID 134551803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).