10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene

C53H36 — CID 169296259

IUPAC10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
SMILESc1ccc(-c2ccc(C(c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H36/c1-2-13-34(14-3-1)35-27-29-37(30-28-35)51(45-24-10-18-36-15-4-7-20-41(36)45)47-26-11-19-40-33-50-49(52(40)47)32-39-17-6-9-22-43(39)53(50)46-25-12-23-44-42-21-8-5-16-38(42)31-48(44)46/h1-30,32,51H,31,33H2
InChIKeyVXRGKHWPNXFXBK-UHFFFAOYSA-N
MW672.87 g/mol
LogP13.65
Rot. Bonds5

About 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene

10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene (PubChem CID 169296259) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene.

Molecular Properties

Compound Name10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
PubChem CID169296259
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
SMILESc1ccc(-c2ccc(C(c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H36/c1-2-13-34(14-3-1)35-27-29-37(30-28-35)51(45-24-10-18-36-15-4-7-20-41(36)45)47-26-11-19-40-33-50-49(52(40)47)32-39-17-6-9-22-43(39)53(50)46-25-12-23-44-42-21-8-5-16-38(42)31-48(44)46/h1-30,32,51H,31,33H2
InChIKeyVXRGKHWPNXFXBK-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 513.65
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

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
2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295293
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
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169296171
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
CID 91356771
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
CID 141372306
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 155609485
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200

Frequently Asked Questions

What is the IUPAC name of 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene?
The IUPAC name of 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene (CID 169296259) is 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene.
What is the SMILES notation for 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene?
The canonical SMILES for 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene is c1ccc(-c2ccc(C(c3cccc4c3-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene?
The InChIKey is VXRGKHWPNXFXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-2-13-34(14-3-1)35-27-29-37(30-28-35)51(45-24-10-18-36-15-4-7-20-41(36)45)47-26-11-19-40-33-50-49(52(40)47)32-39-17-6-9-22-43(39)53(50)46-25-12-23-44-42-21-8-5-16-38(42)31-48(44)46/h1-30,32,51H,31,33H2.
What are the key properties of 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene?
10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene has a molecular weight of 672.87 g/mol, XLogP of 13.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene is sourced from PubChem (CID 169296259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).