(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol

C46H30O2 — CID 135034006

IUPAC(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol
SMILESOc1c2c(c3ccccc3c1-c1c(O)c3c(c4ccccc14)-c1ccccc1[C@H]3c1ccccc1)-c1ccccc1[C@H]2c1ccccc1
InChIInChI=1S/C46H30O2/c47-45-41(35-25-13-11-23-33(35)39-31-21-9-7-19-29(31)37(43(39)45)27-15-3-1-4-16-27)42-36-26-14-12-24-34(36)40-32-22-10-8-20-30(32)38(44(40)46(42)48)28-17-5-2-6-18-28/h1-26,37-38,47-48H/t37-,38-/m1/s1
InChIKeyXRQUBQMFTQGQQM-XPSQVAKYSA-N
MW614.74 g/mol
LogP11.39
Rot. Bonds3

About (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol

(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol (PubChem CID 135034006) has the molecular formula C46H30O2 and a molecular weight of 614.74 g/mol. Its IUPAC name is (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol.

Molecular Properties

Compound Name(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol
PubChem CID135034006
Molecular FormulaC46H30O2
Molecular Weight614.74 g/mol
Exact Mass614.22
IUPAC Name(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol
SMILESOc1c2c(c3ccccc3c1-c1c(O)c3c(c4ccccc14)-c1ccccc1[C@H]3c1ccccc1)-c1ccccc1[C@H]2c1ccccc1
InChIInChI=1S/C46H30O2/c47-45-41(35-25-13-11-23-33(35)39-31-21-9-7-19-29(31)37(43(39)45)27-15-3-1-4-16-27)42-36-26-14-12-24-34(36)40-32-22-10-8-20-30(32)38(44(40)46(42)48)28-17-5-2-6-18-28/h1-26,37-38,47-48H/t37-,38-/m1/s1
InChIKeyXRQUBQMFTQGQQM-XPSQVAKYSA-N
XLogP11.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 511.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol?
The IUPAC name of (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol (CID 135034006) is (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol.
What is the SMILES notation for (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol?
The canonical SMILES for (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol is Oc1c2c(c3ccccc3c1-c1c(O)c3c(c4ccccc14)-c1ccccc1[C@H]3c1ccccc1)-c1ccccc1[C@H]2c1ccccc1.
What is the InChIKey of (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol?
The InChIKey is XRQUBQMFTQGQQM-XPSQVAKYSA-N. The full InChI is InChI=1S/C46H30O2/c47-45-41(35-25-13-11-23-33(35)39-31-21-9-7-19-29(31)37(43(39)45)27-15-3-1-4-16-27)42-36-26-14-12-24-34(36)40-32-22-10-8-20-30(32)38(44(40)46(42)48)28-17-5-2-6-18-28/h1-26,37-38,47-48H/t37-,38-/m1/s1.
What are the key properties of (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol?
(7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol has a molecular weight of 614.74 g/mol, XLogP of 11.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-[(7R)-6-hydroxy-7-phenyl-7H-benzo[c]fluoren-5-yl]-7-phenyl-7H-benzo[c]fluoren-6-ol is sourced from PubChem (CID 135034006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).