2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

C84H71BrN2 — CID 158074097

IUPAC2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H35N.C24H21Br.C18H15N/c1-41(2)37-18-12-11-17-33(37)35-26-40-36(27-39(35)41)34-24-23-32(25-38(34)42(40,3)4)43(30-15-9-6-10-16-30)31-21-19-29(20-22-31)28-13-7-5-8-14-28;1-23(2)19-8-6-5-7-15(19)17-12-22-18(13-21(17)23)16-10-9-14(25)11-20(16)24(22,3)4;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h5-27H,1-4H3;5-13H,1-4H3;1-14,19H
InChIKeyFMDVNLBMCABQIB-UHFFFAOYSA-N
MW1188.41 g/mol
LogP23.59
Rot. Bonds7

About 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (PubChem CID 158074097) has the molecular formula C84H71BrN2 and a molecular weight of 1188.41 g/mol. Its IUPAC name is 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound Name2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
PubChem CID158074097
Molecular FormulaC84H71BrN2
Molecular Weight1188.41 g/mol
Exact Mass1186.48
IUPAC Name2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H35N.C24H21Br.C18H15N/c1-41(2)37-18-12-11-17-33(37)35-26-40-36(27-39(35)41)34-24-23-32(25-38(34)42(40,3)4)43(30-15-9-6-10-16-30)31-21-19-29(20-22-31)28-13-7-5-8-14-28;1-23(2)19-8-6-5-7-15(19)17-12-22-18(13-21(17)23)16-10-9-14(25)11-20(16)24(22,3)4;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h5-27H,1-4H3;5-13H,1-4H3;1-14,19H
InChIKeyFMDVNLBMCABQIB-UHFFFAOYSA-N
XLogP23.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.41
LogP ≤ 523.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine with MolForge

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Related Compounds

1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
9-bromo-11,11-dimethylfluoreno[3,2-b][1]benzofuran;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157463522
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161150395
2-(4-bromophenyl)-9,9-dimethylfluorene;carbanide;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 157271018
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 162199805
7-bromo-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;2-bromo-7-iodo-9,9-dimethylfluorene;molecular iodine;N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 165028912
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The IUPAC name of 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (CID 158074097) is 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The canonical SMILES for 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc(-c4ccccc4)cc2)cc1C3(C)C.c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The InChIKey is FMDVNLBMCABQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N.C24H21Br.C18H15N/c1-41(2)37-18-12-11-17-33(37)35-26-40-36(27-39(35)41)34-24-23-32(25-38(34)42(40,3)4)43(30-15-9-6-10-16-30)31-21-19-29(20-22-31)28-13-7-5-8-14-28;1-23(2)19-8-6-5-7-15(19)17-12-22-18(13-21(17)23)16-10-9-14(25)11-20(16)24(22,3)4;1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h5-27H,1-4H3;5-13H,1-4H3;1-14,19H.
What are the key properties of 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine has a molecular weight of 1188.41 g/mol, XLogP of 23.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 158074097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).