CID 134953859

C39H27- — CID 134953859

IUPAC—
SMILESc1ccc(-c2cc3ccccc3c3c2Cc2cc[cH-]c2Cc2c(-c4ccccc4)cc4ccccc4c2-3)cc1
InChIInChI=1S/C39H27/c1-3-12-26(13-4-1)34-24-30-16-7-9-20-32(30)38-36(34)22-28-18-11-19-29(28)23-37-35(27-14-5-2-6-15-27)25-31-17-8-10-21-33(31)39(37)38/h1-21,24-25H,22-23H2/q-1
InChIKeyACRYQMXFFNXHDX-UHFFFAOYSA-N
MW495.65 g/mol
LogP10.21
Rot. Bonds2

About CID 134953859

CID 134953859 (PubChem CID 134953859) has the molecular formula C39H27- and a molecular weight of 495.65 g/mol.

Molecular Properties

Compound NameCID 134953859
PubChem CID134953859
Molecular FormulaC39H27-
Molecular Weight495.65 g/mol
Exact Mass495.21
IUPAC Name—
SMILESc1ccc(-c2cc3ccccc3c3c2Cc2cc[cH-]c2Cc2c(-c4ccccc4)cc4ccccc4c2-3)cc1
InChIInChI=1S/C39H27/c1-3-12-26(13-4-1)34-24-30-16-7-9-20-32(30)38-36(34)22-28-18-11-19-29(28)23-37-35(27-14-5-2-6-15-27)25-31-17-8-10-21-33(31)39(37)38/h1-21,24-25H,22-23H2/q-1
InChIKeyACRYQMXFFNXHDX-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 135043003
CID 135043003
10,13,16-triphenyl-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102315162
10,16-dibromo-13-[2-(10-bromo-16-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)phenyl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 22973849
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
[(13R,17S)-10,20-diphenyl-15-hexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaenyl]-trimethylsilane
CID 164672219
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
2-chloro-1,3-diphenylnaphthalene
CID 12697982
13,13-dibutyl-10,16-diphenyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene bromide
CID 159201858
4-phenylbenzo[e][1]benzofuran-1-one
CID 70541028
10-[4-[10-[4-(11H-benzo[b]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]-11H-benzo[b]fluorene;9,10-bis[4-(9H-fluoren-1-yl)naphthalen-1-yl]anthracene;9,10-bis[4-(8-phenyl-9H-fluoren-1-yl)phenyl]anthracene;1-phenyl-10-[4-[10-[4-(1-phenyl-11H-benzo[b]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]-11H-benzo[b]fluorene;5-phenyl-9-[10-(5-phenyl-7H-benzo[g]fluoren-9-yl)anthracen-9-yl]-7H-benzo[c]fluorene
CID 159803041
13,13-dibutyl-10,16-bis(4-phenylphenyl)-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene bromide
CID 11228121
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265

Frequently Asked Questions

What is the IUPAC name of CID 134953859?
The IUPAC name of CID 134953859 (CID 134953859) is not available.
What is the SMILES notation for CID 134953859?
The canonical SMILES for CID 134953859 is c1ccc(-c2cc3ccccc3c3c2Cc2cc[cH-]c2Cc2c(-c4ccccc4)cc4ccccc4c2-3)cc1.
What is the InChIKey of CID 134953859?
The InChIKey is ACRYQMXFFNXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27/c1-3-12-26(13-4-1)34-24-30-16-7-9-20-32(30)38-36(34)22-28-18-11-19-29(28)23-37-35(27-14-5-2-6-15-27)25-31-17-8-10-21-33(31)39(37)38/h1-21,24-25H,22-23H2/q-1.
What are the key properties of CID 134953859?
CID 134953859 has a molecular weight of 495.65 g/mol, XLogP of 10.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134953859 is sourced from PubChem (CID 134953859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).