CID 58389434

C68H60N2 — CID 58389434

IUPAC—
SMILESCc1ccc(N2c3ccccc3C3(c4cc(C(C)(C)C)ccc4-c4cc5c(cc43)-c3ccc(C(C)(C)C)cc3C53c4ccccc4N(c4ccc(C)cc4)c4ccc(C)cc43)c3ccc(C)cc32)cc1
InChIInChI=1S/C68H60N2/c1-41-19-27-47(28-20-41)69-61-17-13-12-16-54(61)68(60-35-43(3)24-34-63(60)69)57-38-46(66(8,9)10)26-32-50(57)52-39-58-51(40-59(52)68)49-31-25-45(65(5,6)7)37-56(49)67(58)53-15-11-14-18-62(53)70(48-29-21-42(2)22-30-48)64-36-44(4)23-33-55(64)67/h11-40H,1-10H3
InChIKeyYVGQJLFKQFMLFB-UHFFFAOYSA-N
MW905.24 g/mol
LogP17.81
Rot. Bonds2

About CID 58389434

CID 58389434 (PubChem CID 58389434) has the molecular formula C68H60N2 and a molecular weight of 905.24 g/mol.

Molecular Properties

Compound NameCID 58389434
PubChem CID58389434
Molecular FormulaC68H60N2
Molecular Weight905.24 g/mol
Exact Mass904.48
IUPAC Name—
SMILESCc1ccc(N2c3ccccc3C3(c4cc(C(C)(C)C)ccc4-c4cc5c(cc43)-c3ccc(C(C)(C)C)cc3C53c4ccccc4N(c4ccc(C)cc4)c4ccc(C)cc43)c3ccc(C)cc32)cc1
InChIInChI=1S/C68H60N2/c1-41-19-27-47(28-20-41)69-61-17-13-12-16-54(61)68(60-35-43(3)24-34-63(60)69)57-38-46(66(8,9)10)26-32-50(57)52-39-58-51(40-59(52)68)49-31-25-45(65(5,6)7)37-56(49)67(58)53-15-11-14-18-62(53)70(48-29-21-42(2)22-30-48)64-36-44(4)23-33-55(64)67/h11-40H,1-10H3
InChIKeyYVGQJLFKQFMLFB-UHFFFAOYSA-N
XLogP17.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.24
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
CID 144530914
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
CID 58607554
CID 58607554
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
5-tert-butyl-8-(3-tert-butylphenyl)-14-(9,9'-spirobi[fluorene]-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,11-dimethyl-8-(4-methylphenyl)-14-(9,9'-spirobi[fluorene]-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5-phenyl-8-(3-phenylphenyl)-14-(9,9'-spirobi[fluorene]-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 164970472
25-tert-butyl-N,N,21-tris(4-tert-butylphenyl)-18-methyl-15-(4-methyl-2-phenylphenyl)spiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene-11,9'-fluorene]-2'-amine
CID 176862574
9,9-dimethyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-dimethyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)acridine;10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine;10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenothiazine
CID 159439505

Frequently Asked Questions

What is the IUPAC name of CID 58389434?
The IUPAC name of CID 58389434 (CID 58389434) is not available.
What is the SMILES notation for CID 58389434?
The canonical SMILES for CID 58389434 is Cc1ccc(N2c3ccccc3C3(c4cc(C(C)(C)C)ccc4-c4cc5c(cc43)-c3ccc(C(C)(C)C)cc3C53c4ccccc4N(c4ccc(C)cc4)c4ccc(C)cc43)c3ccc(C)cc32)cc1.
What is the InChIKey of CID 58389434?
The InChIKey is YVGQJLFKQFMLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H60N2/c1-41-19-27-47(28-20-41)69-61-17-13-12-16-54(61)68(60-35-43(3)24-34-63(60)69)57-38-46(66(8,9)10)26-32-50(57)52-39-58-51(40-59(52)68)49-31-25-45(65(5,6)7)37-56(49)67(58)53-15-11-14-18-62(53)70(48-29-21-42(2)22-30-48)64-36-44(4)23-33-55(64)67/h11-40H,1-10H3.
What are the key properties of CID 58389434?
CID 58389434 has a molecular weight of 905.24 g/mol, XLogP of 17.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58389434 is sourced from PubChem (CID 58389434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).