2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine

C76H54N2 — CID 155153866

IUPAC2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3-4)cc21
InChIInChI=1S/C76H54N2/c1-75(2)68-49-54(52-23-10-4-11-24-52)38-45-72(68)78(61-41-35-53(36-42-61)51-21-8-3-9-22-51)73-46-39-56(50-69(73)75)55-37-43-64-67(48-55)76(58-25-12-5-13-26-58,59-27-14-6-15-28-59)66-33-20-32-62(74(64)66)57-40-44-71-65(47-57)63-31-18-19-34-70(63)77(71)60-29-16-7-17-30-60/h3-50H,1-2H3
InChIKeyINIUVNXHPYTWQX-UHFFFAOYSA-N
MW995.28 g/mol
LogP19.92
Rot. Bonds8

About 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine

2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine (PubChem CID 155153866) has the molecular formula C76H54N2 and a molecular weight of 995.28 g/mol. Its IUPAC name is 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine.

Molecular Properties

Compound Name2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
PubChem CID155153866
Molecular FormulaC76H54N2
Molecular Weight995.28 g/mol
Exact Mass994.43
IUPAC Name2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3-4)cc21
InChIInChI=1S/C76H54N2/c1-75(2)68-49-54(52-23-10-4-11-24-52)38-45-72(68)78(61-41-35-53(36-42-61)51-21-8-3-9-22-51)73-46-39-56(50-69(73)75)55-37-43-64-67(48-55)76(58-25-12-5-13-26-58,59-27-14-6-15-28-59)66-33-20-32-62(74(64)66)57-40-44-71-65(47-57)63-31-18-19-34-70(63)77(71)60-29-16-7-17-30-60/h3-50H,1-2H3
InChIKeyINIUVNXHPYTWQX-UHFFFAOYSA-N
XLogP19.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.28
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one
CID 142287992
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 129164897
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
The IUPAC name of 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine (CID 155153866) is 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine.
What is the SMILES notation for 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
The canonical SMILES for 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3-4)cc21.
What is the InChIKey of 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
The InChIKey is INIUVNXHPYTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2/c1-75(2)68-49-54(52-23-10-4-11-24-52)38-45-72(68)78(61-41-35-53(36-42-61)51-21-8-3-9-22-51)73-46-39-56(50-69(73)75)55-37-43-64-67(48-55)76(58-25-12-5-13-26-58,59-27-14-6-15-28-59)66-33-20-32-62(74(64)66)57-40-44-71-65(47-57)63-31-18-19-34-70(63)77(71)60-29-16-7-17-30-60/h3-50H,1-2H3.
What are the key properties of 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine?
2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine has a molecular weight of 995.28 g/mol, XLogP of 19.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine is sourced from PubChem (CID 155153866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).