10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene

C43H30 — CID 123805916

IUPAC10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(C4=C5C(=C(c6ccccc6)c6ccccc65)c5ccccc54)cc3)cc21
InChIInChI=1S/C43H30/c1-43(2)37-19-11-10-14-31(37)32-25-24-30(26-38(32)43)27-20-22-29(23-21-27)40-34-16-7-9-18-36(34)41-39(28-12-4-3-5-13-28)33-15-6-8-17-35(33)42(40)41/h3-26H,1-2H3
InChIKeyHEVOSHGPFLLDNR-UHFFFAOYSA-N
MW546.71 g/mol
LogP10.91
Rot. Bonds3

About 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene

10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene (PubChem CID 123805916) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene.

Molecular Properties

Compound Name10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
PubChem CID123805916
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(C4=C5C(=C(c6ccccc6)c6ccccc65)c5ccccc54)cc3)cc21
InChIInChI=1S/C43H30/c1-43(2)37-19-11-10-14-31(37)32-25-24-30(26-38(32)43)27-20-22-29(23-21-27)40-34-16-7-9-18-36(34)41-39(28-12-4-3-5-13-28)33-15-6-8-17-35(33)42(40)41/h3-26H,1-2H3
InChIKeyHEVOSHGPFLLDNR-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene
CID 123205790
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801

Frequently Asked Questions

What is the IUPAC name of 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene?
The IUPAC name of 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene (CID 123805916) is 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene.
What is the SMILES notation for 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene?
The canonical SMILES for 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene is CC1(C)c2ccccc2-c2ccc(-c3ccc(C4=C5C(=C(c6ccccc6)c6ccccc65)c5ccccc54)cc3)cc21.
What is the InChIKey of 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene?
The InChIKey is HEVOSHGPFLLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-43(2)37-19-11-10-14-31(37)32-25-24-30(26-38(32)43)27-20-22-29(23-21-27)40-34-16-7-9-18-36(34)41-39(28-12-4-3-5-13-28)33-15-6-8-17-35(33)42(40)41/h3-26H,1-2H3.
What are the key properties of 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene?
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene has a molecular weight of 546.71 g/mol, XLogP of 10.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene is sourced from PubChem (CID 123805916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).