CID 134551753

C59H39N — CID 134551753

IUPAC—
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc21
InChIInChI=1S/C59H39N/c1-57(2)45-22-8-3-17-37(45)41-32-31-36(33-53(41)57)60-55-30-16-7-21-42(55)44-34-54-43(35-56(44)60)40-20-6-11-25-48(40)59(54)51-28-14-12-26-49(51)58(50-27-13-15-29-52(50)59)46-23-9-4-18-38(46)39-19-5-10-24-47(39)58/h3-35H,1-2H3
InChIKeyLDCUHKLZHFBCOP-UHFFFAOYSA-N
MW761.97 g/mol
LogP14.13
Rot. Bonds1

About CID 134551753

CID 134551753 (PubChem CID 134551753) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol.

Molecular Properties

Compound NameCID 134551753
PubChem CID134551753
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc21
InChIInChI=1S/C59H39N/c1-57(2)45-22-8-3-17-37(45)41-32-31-36(33-53(41)57)60-55-30-16-7-21-42(55)44-34-54-43(35-56(44)60)40-20-6-11-25-48(40)59(54)51-28-14-12-26-49(51)58(50-27-13-15-29-52(50)59)46-23-9-4-18-38(46)39-19-5-10-24-47(39)58/h3-35H,1-2H3
InChIKeyLDCUHKLZHFBCOP-UHFFFAOYSA-N
XLogP14.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598837
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
CID 134551673
CID 134551673

Frequently Asked Questions

What is the IUPAC name of CID 134551753?
The IUPAC name of CID 134551753 (CID 134551753) is not available.
What is the SMILES notation for CID 134551753?
The canonical SMILES for CID 134551753 is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc21.
What is the InChIKey of CID 134551753?
The InChIKey is LDCUHKLZHFBCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-57(2)45-22-8-3-17-37(45)41-32-31-36(33-53(41)57)60-55-30-16-7-21-42(55)44-34-54-43(35-56(44)60)40-20-6-11-25-48(40)59(54)51-28-14-12-26-49(51)58(50-27-13-15-29-52(50)59)46-23-9-4-18-38(46)39-19-5-10-24-47(39)58/h3-35H,1-2H3.
What are the key properties of CID 134551753?
CID 134551753 has a molecular weight of 761.97 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 134551753 is sourced from PubChem (CID 134551753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).