2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene

C43H30 — CID 169295293

IUPAC2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESc1ccc(C(c2ccccc2)c2ccc3c(c2)Cc2c-3cc3ccccc3c2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C43H30/c1-3-12-28(13-4-1)42(29-14-5-2-6-15-29)32-22-23-35-33(24-32)27-41-39(35)26-31-17-8-10-19-36(31)43(41)38-21-11-20-37-34-18-9-7-16-30(34)25-40(37)38/h1-24,26,42H,25,27H2
InChIKeyQARLACFPUULQHB-UHFFFAOYSA-N
MW546.71 g/mol
LogP10.83
Rot. Bonds4

About 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene

2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (PubChem CID 169295293) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
PubChem CID169295293
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESc1ccc(C(c2ccccc2)c2ccc3c(c2)Cc2c-3cc3ccccc3c2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C43H30/c1-3-12-28(13-4-1)42(29-14-5-2-6-15-29)32-22-23-35-33(24-32)27-41-39(35)26-31-17-8-10-19-36(31)43(41)38-21-11-20-37-34-18-9-7-16-30(34)25-40(37)38/h1-24,26,42H,25,27H2
InChIKeyQARLACFPUULQHB-UHFFFAOYSA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169296171
3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295471
2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295710
10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
CID 169296259
4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295746
4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295666
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
10-[4-[10-[4-(11H-benzo[b]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]-11H-benzo[b]fluorene;9,10-bis[4-(9H-fluoren-1-yl)naphthalen-1-yl]anthracene;9,10-bis[4-(8-phenyl-9H-fluoren-1-yl)phenyl]anthracene;1-phenyl-10-[4-[10-[4-(1-phenyl-11H-benzo[b]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]-11H-benzo[b]fluorene;5-phenyl-9-[10-(5-phenyl-7H-benzo[g]fluoren-9-yl)anthracen-9-yl]-7H-benzo[c]fluorene
CID 159803041
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The IUPAC name of 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (CID 169295293) is 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.
What is the SMILES notation for 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The canonical SMILES for 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is c1ccc(C(c2ccccc2)c2ccc3c(c2)Cc2c-3cc3ccccc3c2-c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The InChIKey is QARLACFPUULQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-3-12-28(13-4-1)42(29-14-5-2-6-15-29)32-22-23-35-33(24-32)27-41-39(35)26-31-17-8-10-19-36(31)43(41)38-21-11-20-37-34-18-9-7-16-30(34)25-40(37)38/h1-24,26,42H,25,27H2.
What are the key properties of 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene has a molecular weight of 546.71 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is sourced from PubChem (CID 169295293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).