CID 134551919

C56H37N — CID 134551919

IUPAC—
SMILESCc1cc(C)cc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1
InChIInChI=1S/C56H37N/c1-34-29-35(2)31-37(30-34)57-52-28-27-36-15-3-4-16-38(36)54(52)43-32-51-42(33-53(43)57)41-19-7-10-22-46(41)56(51)49-25-13-11-23-47(49)55(48-24-12-14-26-50(48)56)44-20-8-5-17-39(44)40-18-6-9-21-45(40)55/h3-33H,1-2H3
InChIKeyJFJLGWQWEJVLHW-UHFFFAOYSA-N
MW723.92 g/mol
LogP13.59
Rot. Bonds1

About CID 134551919

CID 134551919 (PubChem CID 134551919) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol.

Molecular Properties

Compound NameCID 134551919
PubChem CID134551919
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC Name—
SMILESCc1cc(C)cc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1
InChIInChI=1S/C56H37N/c1-34-29-35(2)31-37(30-34)57-52-28-27-36-15-3-4-16-38(36)54(52)43-32-51-42(33-53(43)57)41-19-7-10-22-46(41)56(51)49-25-13-11-23-47(49)55(48-24-12-14-26-50(48)56)44-20-8-5-17-39(44)40-18-6-9-21-45(40)55/h3-33H,1-2H3
InChIKeyJFJLGWQWEJVLHW-UHFFFAOYSA-N
XLogP13.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
CID 134551803
CID 134551803
CID 134551819
CID 134551819
7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370703
CID 134551933
CID 134551933
7-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-10-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 134370705
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
CID 134551673
CID 134551673
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
CID 134551753
CID 134551753
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
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

Frequently Asked Questions

What is the IUPAC name of CID 134551919?
The IUPAC name of CID 134551919 (CID 134551919) is not available.
What is the SMILES notation for CID 134551919?
The canonical SMILES for CID 134551919 is Cc1cc(C)cc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1.
What is the InChIKey of CID 134551919?
The InChIKey is JFJLGWQWEJVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-34-29-35(2)31-37(30-34)57-52-28-27-36-15-3-4-16-38(36)54(52)43-32-51-42(33-53(43)57)41-19-7-10-22-46(41)56(51)49-25-13-11-23-47(49)55(48-24-12-14-26-50(48)56)44-20-8-5-17-39(44)40-18-6-9-21-45(40)55/h3-33H,1-2H3.
What are the key properties of CID 134551919?
CID 134551919 has a molecular weight of 723.92 g/mol, XLogP of 13.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551919 is sourced from PubChem (CID 134551919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).