2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine

C63H48N2 — CID 145110266

IUPAC2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-n3c4ccc(C5=CCCC=C5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc21
InChIInChI=1S/C63H48N2/c1-63(2)57-41-50(45-22-12-5-13-23-45)31-36-60(57)64(52-32-28-47(29-33-52)43-18-8-3-9-19-43)61-37-34-53(42-58(61)63)65-59-35-30-49(44-20-10-4-11-21-44)38-55(59)56-40-51(46-24-14-6-15-25-46)39-54(62(56)65)48-26-16-7-17-27-48/h3,5-10,12-42H,4,11H2,1-2H3
InChIKeyQPFCHDZUDZLZID-UHFFFAOYSA-N
MW833.09 g/mol
LogP17.29
Rot. Bonds7

About 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine

2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine (PubChem CID 145110266) has the molecular formula C63H48N2 and a molecular weight of 833.09 g/mol. Its IUPAC name is 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
PubChem CID145110266
Molecular FormulaC63H48N2
Molecular Weight833.09 g/mol
Exact Mass832.38
IUPAC Name2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-n3c4ccc(C5=CCCC=C5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc21
InChIInChI=1S/C63H48N2/c1-63(2)57-41-50(45-22-12-5-13-23-45)31-36-60(57)64(52-32-28-47(29-33-52)43-18-8-3-9-19-43)61-37-34-53(42-58(61)63)65-59-35-30-49(44-20-10-4-11-21-44)38-55(59)56-40-51(46-24-14-6-15-25-46)39-54(62(56)65)48-26-16-7-17-27-48/h3,5-10,12-42H,4,11H2,1-2H3
InChIKeyQPFCHDZUDZLZID-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.09
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene
CID 123369895
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-[5-(3-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethylfluoren-2-yl]-3-cyclohexa-1,5-dien-1-yl-6-phenylcarbazole
CID 166895471
7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine
CID 145110372
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
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
7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole
CID 134431911
9-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 177276905
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
5,10-bis(3,5-diphenylphenyl)-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 88855514

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine (CID 145110266) is 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-n3c4ccc(C5=CCCC=C5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc21.
What is the InChIKey of 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
The InChIKey is QPFCHDZUDZLZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N2/c1-63(2)57-41-50(45-22-12-5-13-23-45)31-36-60(57)64(52-32-28-47(29-33-52)43-18-8-3-9-19-43)61-37-34-53(42-58(61)63)65-59-35-30-49(44-20-10-4-11-21-44)38-55(59)56-40-51(46-24-14-6-15-25-46)39-54(62(56)65)48-26-16-7-17-27-48/h3,5-10,12-42H,4,11H2,1-2H3.
What are the key properties of 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine has a molecular weight of 833.09 g/mol, XLogP of 17.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 145110266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).