2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene

C36H29Br — CID 86722507

IUPAC2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(-c2ccccc2-c2ccccc2)cc1C3(C)C
InChIInChI=1S/C36H29Br/c1-35(2)31-18-23(26-13-9-8-12-25(26)22-10-6-5-7-11-22)14-16-27(31)29-20-34-30(21-33(29)35)28-17-15-24(37)19-32(28)36(34,3)4/h5-21H,1-4H3
InChIKeySCRVQJZQNITLRX-UHFFFAOYSA-N
MW541.53 g/mol
LogP10.40
Rot. Bonds2

About 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene

2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene (PubChem CID 86722507) has the molecular formula C36H29Br and a molecular weight of 541.53 g/mol. Its IUPAC name is 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
PubChem CID86722507
Molecular FormulaC36H29Br
Molecular Weight541.53 g/mol
Exact Mass540.15
IUPAC Name2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(-c2ccccc2-c2ccccc2)cc1C3(C)C
InChIInChI=1S/C36H29Br/c1-35(2)31-18-23(26-13-9-8-12-25(26)22-10-6-5-7-11-22)14-16-27(31)29-20-34-30(21-33(29)35)28-17-15-24(37)19-32(28)36(34,3)4/h5-21H,1-4H3
InChIKeySCRVQJZQNITLRX-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881223
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881185
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid
CID 161359304
7-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175381
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene?
The IUPAC name of 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene (CID 86722507) is 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene?
The canonical SMILES for 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene is CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(-c2ccccc2-c2ccccc2)cc1C3(C)C.
What is the InChIKey of 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene?
The InChIKey is SCRVQJZQNITLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29Br/c1-35(2)31-18-23(26-13-9-8-12-25(26)22-10-6-5-7-11-22)14-16-27(31)29-20-34-30(21-33(29)35)28-17-15-24(37)19-32(28)36(34,3)4/h5-21H,1-4H3.
What are the key properties of 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene?
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene has a molecular weight of 541.53 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 86722507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).