12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene

C48H32O — CID 146578726

IUPAC12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C5c6ccccc6Oc6ccc7ccccc7c65)cc4)cc32)cc1
InChIInChI=1S/C48H32O/c1-3-14-36(15-4-1)48(37-16-5-2-6-17-37)42-21-11-9-19-39(42)40-29-27-35(31-43(40)48)32-23-25-34(26-24-32)46-41-20-10-12-22-44(41)49-45-30-28-33-13-7-8-18-38(33)47(45)46/h1-31,46H
InChIKeyXXHKHAZLZPXKIH-UHFFFAOYSA-N
MW624.78 g/mol
LogP12.16
Rot. Bonds4

About 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene

12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene (PubChem CID 146578726) has the molecular formula C48H32O and a molecular weight of 624.78 g/mol. Its IUPAC name is 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene.

Molecular Properties

Compound Name12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene
PubChem CID146578726
Molecular FormulaC48H32O
Molecular Weight624.78 g/mol
Exact Mass624.25
IUPAC Name12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C5c6ccccc6Oc6ccc7ccccc7c65)cc4)cc32)cc1
InChIInChI=1S/C48H32O/c1-3-14-36(15-4-1)48(37-16-5-2-6-17-37)42-21-11-9-19-39(42)40-29-27-35(31-43(40)48)32-23-25-34(26-24-32)46-41-20-10-12-22-44(41)49-45-30-28-33-13-7-8-18-38(33)47(45)46/h1-31,46H
InChIKeyXXHKHAZLZPXKIH-UHFFFAOYSA-N
XLogP12.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene with MolForge

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Related Compounds

2-[4-(12H-benzo[a]xanthen-12-yl)phenyl]-9-phenylcarbazole;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene;12-[4-(4-phenylphenyl)phenyl]-12H-benzo[a]xanthene
CID 162006774
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578778
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170027656
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818
11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177128059
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene?
The IUPAC name of 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene (CID 146578726) is 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene.
What is the SMILES notation for 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene?
The canonical SMILES for 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C5c6ccccc6Oc6ccc7ccccc7c65)cc4)cc32)cc1.
What is the InChIKey of 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene?
The InChIKey is XXHKHAZLZPXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O/c1-3-14-36(15-4-1)48(37-16-5-2-6-17-37)42-21-11-9-19-39(42)40-29-27-35(31-43(40)48)32-23-25-34(26-24-32)46-41-20-10-12-22-44(41)49-45-30-28-33-13-7-8-18-38(33)47(45)46/h1-31,46H.
What are the key properties of 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene?
12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene has a molecular weight of 624.78 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene is sourced from PubChem (CID 146578726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).