CID 134551739

C62H40N2 — CID 134551739

IUPAC—
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C62H40N2/c1-3-19-41(20-4-1)63(42-21-5-2-6-22-42)43-35-37-44(38-36-43)64-58-34-18-10-25-47(58)48-39-40-57-59(60(48)64)49-26-9-13-29-52(49)62(57)55-32-16-14-30-53(55)61(54-31-15-17-33-56(54)62)50-27-11-7-23-45(50)46-24-8-12-28-51(46)61/h1-40H
InChIKeyZPZQHKIYYGVALI-UHFFFAOYSA-N
MW813.02 g/mol
LogP15.29
Rot. Bonds4

About CID 134551739

CID 134551739 (PubChem CID 134551739) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol.

Molecular Properties

Compound NameCID 134551739
PubChem CID134551739
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC Name—
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C62H40N2/c1-3-19-41(20-4-1)63(42-21-5-2-6-22-42)43-35-37-44(38-36-43)64-58-34-18-10-25-47(58)48-39-40-57-59(60(48)64)49-26-9-13-29-52(49)62(57)55-32-16-14-30-53(55)61(54-31-15-17-33-56(54)62)50-27-11-7-23-45(50)46-24-8-12-28-51(46)61/h1-40H
InChIKeyZPZQHKIYYGVALI-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 134551885
CID 134551885
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
CID 171418926
N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
CID 153308687
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
12'-phenyl-3'-(12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]-3'-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253707
N-(4-carbazol-9-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309232

Frequently Asked Questions

What is the IUPAC name of CID 134551739?
The IUPAC name of CID 134551739 (CID 134551739) is not available.
What is the SMILES notation for CID 134551739?
The canonical SMILES for CID 134551739 is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 134551739?
The InChIKey is ZPZQHKIYYGVALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-19-41(20-4-1)63(42-21-5-2-6-22-42)43-35-37-44(38-36-43)64-58-34-18-10-25-47(58)48-39-40-57-59(60(48)64)49-26-9-13-29-52(49)62(57)55-32-16-14-30-53(55)61(54-31-15-17-33-56(54)62)50-27-11-7-23-45(50)46-24-8-12-28-51(46)61/h1-40H.
What are the key properties of CID 134551739?
CID 134551739 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 134551739 is sourced from PubChem (CID 134551739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).