1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole

C77H76N2 — CID 138579773

IUPAC1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c(-c7ccc(C(C)(C)C)cc7)c(-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc4-5)cc3)c3ccccc23)cc1
InChIInChI=1S/C77H76N2/c1-73(2,3)55-34-23-50(24-35-55)69-63-19-15-17-21-67(63)78(71(69)52-27-38-57(39-28-52)75(7,8)9)59-42-31-49(32-43-59)54-33-45-61-62-46-44-60(48-66(62)77(13,14)65(61)47-54)79-68-22-18-16-20-64(68)70(51-25-36-56(37-26-51)74(4,5)6)72(79)53-29-40-58(41-30-53)76(10,11)12/h15-48H,1-14H3
InChIKeyIBGIYUMVAGCMLZ-UHFFFAOYSA-N
MW1029.47 g/mol
LogP21.41
Rot. Bonds7

About 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole

1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole (PubChem CID 138579773) has the molecular formula C77H76N2 and a molecular weight of 1029.47 g/mol. Its IUPAC name is 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole.

Molecular Properties

Compound Name1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
PubChem CID138579773
Molecular FormulaC77H76N2
Molecular Weight1029.47 g/mol
Exact Mass1028.60
IUPAC Name1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c(-c7ccc(C(C)(C)C)cc7)c(-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc4-5)cc3)c3ccccc23)cc1
InChIInChI=1S/C77H76N2/c1-73(2,3)55-34-23-50(24-35-55)69-63-19-15-17-21-67(63)78(71(69)52-27-38-57(39-28-52)75(7,8)9)59-42-31-49(32-43-59)54-33-45-61-62-46-44-60(48-66(62)77(13,14)65(61)47-54)79-68-22-18-16-20-64(68)70(51-25-36-56(37-26-51)74(4,5)6)72(79)53-29-40-58(41-30-53)76(10,11)12/h15-48H,1-14H3
InChIKeyIBGIYUMVAGCMLZ-UHFFFAOYSA-N
XLogP21.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.47
LogP ≤ 521.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-[4-(4-phenylphenyl)phenyl]indole
CID 129085606
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 59236651
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118042341
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole
CID 58161278
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole
CID 138579631
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole?
The IUPAC name of 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole (CID 138579773) is 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole.
What is the SMILES notation for 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole?
The canonical SMILES for 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole is CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c(-c7ccc(C(C)(C)C)cc7)c(-c7ccc(C(C)(C)C)cc7)c7ccccc76)ccc4-5)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole?
The InChIKey is IBGIYUMVAGCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H76N2/c1-73(2,3)55-34-23-50(24-35-55)69-63-19-15-17-21-67(63)78(71(69)52-27-38-57(39-28-52)75(7,8)9)59-42-31-49(32-43-59)54-33-45-61-62-46-44-60(48-66(62)77(13,14)65(61)47-54)79-68-22-18-16-20-64(68)70(51-25-36-56(37-26-51)74(4,5)6)72(79)53-29-40-58(41-30-53)76(10,11)12/h15-48H,1-14H3.
What are the key properties of 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole?
1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole has a molecular weight of 1029.47 g/mol, XLogP of 21.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole is sourced from PubChem (CID 138579773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).