8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene

C45H26O4 — CID 164928731

IUPAC8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene
SMILESc1ccc2c(c1)Oc1cc3ccc(C4(c5ccc6cc7c(cc6c5)Oc5ccccc5O7)c5ccccc5-c5ccccc54)cc3cc1O2
InChIInChI=1S/C45H26O4/c1-3-11-35-33(9-1)34-10-2-4-12-36(34)45(35,31-19-17-27-23-41-43(25-29(27)21-31)48-39-15-7-5-13-37(39)46-41)32-20-18-28-24-42-44(26-30(28)22-32)49-40-16-8-6-14-38(40)47-42/h1-26H
InChIKeyQRKMCOFBQLNTFG-UHFFFAOYSA-N
MW630.70 g/mol
LogP12.15
Rot. Bonds2

About 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene

8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene (PubChem CID 164928731) has the molecular formula C45H26O4 and a molecular weight of 630.70 g/mol. Its IUPAC name is 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene.

Molecular Properties

Compound Name8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene
PubChem CID164928731
Molecular FormulaC45H26O4
Molecular Weight630.70 g/mol
Exact Mass630.18
IUPAC Name8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene
SMILESc1ccc2c(c1)Oc1cc3ccc(C4(c5ccc6cc7c(cc6c5)Oc5ccccc5O7)c5ccccc5-c5ccccc54)cc3cc1O2
InChIInChI=1S/C45H26O4/c1-3-11-35-33(9-1)34-10-2-4-12-36(34)45(35,31-19-17-27-23-41-43(25-29(27)21-31)48-39-15-7-5-13-37(39)46-41)32-20-18-28-24-42-44(26-30(28)22-32)49-40-16-8-6-14-38(40)47-42/h1-26H
InChIKeyQRKMCOFBQLNTFG-UHFFFAOYSA-N
XLogP12.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.70
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
CID 163941114
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
4-[9-naphthalen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177126977
16-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021978
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332

Frequently Asked Questions

What is the IUPAC name of 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene?
The IUPAC name of 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene (CID 164928731) is 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene.
What is the SMILES notation for 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene?
The canonical SMILES for 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene is c1ccc2c(c1)Oc1cc3ccc(C4(c5ccc6cc7c(cc6c5)Oc5ccccc5O7)c5ccccc5-c5ccccc54)cc3cc1O2.
What is the InChIKey of 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene?
The InChIKey is QRKMCOFBQLNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26O4/c1-3-11-35-33(9-1)34-10-2-4-12-36(34)45(35,31-19-17-27-23-41-43(25-29(27)21-31)48-39-15-7-5-13-37(39)46-41)32-20-18-28-24-42-44(26-30(28)22-32)49-40-16-8-6-14-38(40)47-42/h1-26H.
What are the key properties of 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene?
8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene has a molecular weight of 630.70 g/mol, XLogP of 12.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene is sourced from PubChem (CID 164928731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).