ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine

C83H86N4 — CID 145348376

IUPACethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
SMILESCC.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)N(c1ccc(C(C)(C)C(C)(C)C(C)(C)c2ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)C(C)(C)c4ccccc4N6c4ccccc4)cc2)cc1)c1ccccc1C3(C)C
InChIInChI=1S/C81H80N4.C2H6/c1-75(2)59-33-21-25-37-67(59)82(55-29-17-15-18-30-55)71-49-65-73(51-63(71)75)84(69-39-27-23-35-61(69)77(65,5)6)57-45-41-53(42-46-57)79(9,10)81(13,14)80(11,12)54-43-47-58(48-44-54)85-70-40-28-24-36-62(70)78(7,8)66-50-72-64(52-74(66)85)76(3,4)60-34-22-26-38-68(60)83(72)56-31-19-16-20-32-56;1-2/h15-52H,1-14H3;1-2H3
InChIKeyOJZAAKXJSNWQSY-UHFFFAOYSA-N
MW1139.63 g/mol
LogP23.43
Rot. Bonds8

About ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine

ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine (PubChem CID 145348376) has the molecular formula C83H86N4 and a molecular weight of 1139.63 g/mol. Its IUPAC name is ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine.

Molecular Properties

Compound Nameethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
PubChem CID145348376
Molecular FormulaC83H86N4
Molecular Weight1139.63 g/mol
Exact Mass1138.69
IUPAC Nameethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
SMILESCC.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)N(c1ccc(C(C)(C)C(C)(C)C(C)(C)c2ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)C(C)(C)c4ccccc4N6c4ccccc4)cc2)cc1)c1ccccc1C3(C)C
InChIInChI=1S/C81H80N4.C2H6/c1-75(2)59-33-21-25-37-67(59)82(55-29-17-15-18-30-55)71-49-65-73(51-63(71)75)84(69-39-27-23-35-61(69)77(65,5)6)57-45-41-53(42-46-57)79(9,10)81(13,14)80(11,12)54-43-47-58(48-44-54)85-70-40-28-24-36-62(70)78(7,8)66-50-72-64(52-74(66)85)76(3,4)60-34-22-26-38-68(60)83(72)56-31-19-16-20-32-56;1-2/h15-52H,1-14H3;1-2H3
InChIKeyOJZAAKXJSNWQSY-UHFFFAOYSA-N
XLogP23.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.63
LogP ≤ 523.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine with MolForge

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Related Compounds

2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
5,5,22,22,29,29-hexamethyl-16,35-diphenyl-1,9,16,35-tetrazaundecacyclo[28.11.1.19,17.02,28.04,26.06,25.08,23.010,15.034,42.036,41.021,43]tritetraconta-2(28),3,6,8(23),10,12,14,17,19,21(43),24,26,30(42),31,33,36,38,40-octadecaene
CID 58489868
2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
CID 58384128

Frequently Asked Questions

What is the IUPAC name of ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine?
The IUPAC name of ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine (CID 145348376) is ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine.
What is the SMILES notation for ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine?
The canonical SMILES for ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine is CC.CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)N(c1ccc(C(C)(C)C(C)(C)C(C)(C)c2ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)C(C)(C)c4ccccc4N6c4ccccc4)cc2)cc1)c1ccccc1C3(C)C.
What is the InChIKey of ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine?
The InChIKey is OJZAAKXJSNWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H80N4.C2H6/c1-75(2)59-33-21-25-37-67(59)82(55-29-17-15-18-30-55)71-49-65-73(51-63(71)75)84(69-39-27-23-35-61(69)77(65,5)6)57-45-41-53(42-46-57)79(9,10)81(13,14)80(11,12)54-43-47-58(48-44-54)85-70-40-28-24-36-62(70)78(7,8)66-50-72-64(52-74(66)85)76(3,4)60-34-22-26-38-68(60)83(72)56-31-19-16-20-32-56;1-2/h15-52H,1-14H3;1-2H3.
What are the key properties of ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine?
ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine has a molecular weight of 1139.63 g/mol, XLogP of 23.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine is sourced from PubChem (CID 145348376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).