2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine

C64H71N3 — CID 58384128

IUPAC2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(C(C)(C)C)cc4C(C)(C)c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C64H71N3/c1-59(2,3)40-22-28-55-49(34-40)63(13,14)50-35-41(60(4,5)6)23-29-56(50)66(55)45-26-32-53-47(38-45)48-39-46(27-33-54(48)65(53)44-20-18-17-19-21-44)67-57-30-24-42(61(7,8)9)36-51(57)64(15,16)52-37-43(62(10,11)12)25-31-58(52)67/h17-39H,1-16H3
InChIKeyPSAZKFNVDUJRSB-UHFFFAOYSA-N
MW882.29 g/mol
LogP18.19
Rot. Bonds3

About 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine

2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine (PubChem CID 58384128) has the molecular formula C64H71N3 and a molecular weight of 882.29 g/mol. Its IUPAC name is 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
PubChem CID58384128
Molecular FormulaC64H71N3
Molecular Weight882.29 g/mol
Exact Mass881.56
IUPAC Name2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(C(C)(C)C)cc4C(C)(C)c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C64H71N3/c1-59(2,3)40-22-28-55-49(34-40)63(13,14)50-35-41(60(4,5)6)23-29-56(50)66(55)45-26-32-53-47(38-45)48-39-46(27-33-54(48)65(53)44-20-18-17-19-21-44)67-57-30-24-42(61(7,8)9)36-51(57)64(15,16)52-37-43(62(10,11)12)25-31-58(52)67/h17-39H,1-16H3
InChIKeyPSAZKFNVDUJRSB-UHFFFAOYSA-N
XLogP18.19
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.29
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-ditert-butyl-10-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-2-yl]-9,9-dimethylacridine
CID 58384126
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
9-anthracen-2-yl-2,7-bis(3,6-ditert-butylcarbazol-9-yl)carbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-naphthalen-2-ylcarbazole;2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[7-[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]carbazole;2,7-ditert-butyl-10-[7-[7-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylacridine
CID 167701389
10-dibenzothiophen-2-yl-9,9-dimethyl-2-trityl-7-(3-tritylcarbazol-9-yl)acridine
CID 164756657
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330373
8-(4-tert-butylphenyl)-13,13-dimethyl-11-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]acridine
CID 144612779
8-tert-butyl-16-(4-tert-butylphenyl)-11,11-dimethyl-19-phenyl-4,16,22-triaza-1-boranonacyclo[15.13.1.02,15.03,12.04,29.05,10.021,31.022,30.023,28]hentriaconta-2(15),3(12),5(10),6,8,13,17,19,21(31),23,25,27,29-tridecaene
CID 169286829

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine?
The IUPAC name of 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine (CID 58384128) is 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine.
What is the SMILES notation for 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine?
The canonical SMILES for 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(C(C)(C)C)cc4C(C)(C)c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine?
The InChIKey is PSAZKFNVDUJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H71N3/c1-59(2,3)40-22-28-55-49(34-40)63(13,14)50-35-41(60(4,5)6)23-29-56(50)66(55)45-26-32-53-47(38-45)48-39-46(27-33-54(48)65(53)44-20-18-17-19-21-44)67-57-30-24-42(61(7,8)9)36-51(57)64(15,16)52-37-43(62(10,11)12)25-31-58(52)67/h17-39H,1-16H3.
What are the key properties of 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine?
2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine has a molecular weight of 882.29 g/mol, XLogP of 18.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-10-[6-(2,7-ditert-butyl-9,9-dimethylacridin-10-yl)-9-phenylcarbazol-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 58384128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).