CID 134451097

C62H40N2 — CID 134451097

IUPAC—
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H40N2/c1-3-20-41(21-4-1)63(43-38-39-58-49(40-43)48-28-11-18-36-57(48)64(58)42-22-5-2-6-23-42)59-37-19-35-56-60(59)62(52-31-14-9-26-46(52)47-27-10-15-32-53(47)62)55-34-17-16-33-54(55)61(56)50-29-12-7-24-44(50)45-25-8-13-30-51(45)61/h1-40H
InChIKeyFKSLZYBZQKKWMO-UHFFFAOYSA-N
MW813.02 g/mol
LogP15.29
Rot. Bonds4

About CID 134451097

CID 134451097 (PubChem CID 134451097) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol.

Molecular Properties

Compound NameCID 134451097
PubChem CID134451097
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC Name—
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H40N2/c1-3-20-41(21-4-1)63(43-38-39-58-49(40-43)48-28-11-18-36-57(48)64(58)42-22-5-2-6-23-42)59-37-19-35-56-60(59)62(52-31-14-9-26-46(52)47-27-10-15-32-53(47)62)55-34-17-16-33-54(55)61(56)50-29-12-7-24-44(50)45-25-8-13-30-51(45)61/h1-40H
InChIKeyFKSLZYBZQKKWMO-UHFFFAOYSA-N
XLogP15.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 158188643
CID 158188643
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
4-N',6-N,6-N-triphenyl-4-N'-(9-phenylcarbazol-3-yl)spiro[benzo[a]fluorene-11,9'-fluorene]-4',6-diamine
CID 168775231
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
3-N',3-N',10-N-triphenyl-10-N-(9-phenylcarbazol-3-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3',10-diamine
CID 168775000
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866

Frequently Asked Questions

What is the IUPAC name of CID 134451097?
The IUPAC name of CID 134451097 (CID 134451097) is not available.
What is the SMILES notation for CID 134451097?
The canonical SMILES for CID 134451097 is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 134451097?
The InChIKey is FKSLZYBZQKKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-20-41(21-4-1)63(43-38-39-58-49(40-43)48-28-11-18-36-57(48)64(58)42-22-5-2-6-23-42)59-37-19-35-56-60(59)62(52-31-14-9-26-46(52)47-27-10-15-32-53(47)62)55-34-17-16-33-54(55)61(56)50-29-12-7-24-44(50)45-25-8-13-30-51(45)61/h1-40H.
What are the key properties of CID 134451097?
CID 134451097 has a molecular weight of 813.02 g/mol, XLogP of 15.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134451097 is sourced from PubChem (CID 134451097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).