3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol

C45H30O2 — CID 69231580

IUPAC3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
SMILESOc1cc(-c2ccc(C3(c4ccc(-c5cc(O)c6ccccc6c5)cc4)c4ccccc4-c4ccccc43)cc2)cc2ccccc12
InChIInChI=1S/C45H30O2/c46-43-27-33(25-31-9-1-3-11-37(31)43)29-17-21-35(22-18-29)45(41-15-7-5-13-39(41)40-14-6-8-16-42(40)45)36-23-19-30(20-24-36)34-26-32-10-2-4-12-38(32)44(47)28-34/h1-28,46-47H
InChIKeyDLYQRAYPAGQJEL-UHFFFAOYSA-N
MW602.73 g/mol
LogP11.10
Rot. Bonds4

About 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol

3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol (PubChem CID 69231580) has the molecular formula C45H30O2 and a molecular weight of 602.73 g/mol. Its IUPAC name is 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol.

Molecular Properties

Compound Name3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
PubChem CID69231580
Molecular FormulaC45H30O2
Molecular Weight602.73 g/mol
Exact Mass602.22
IUPAC Name3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
SMILESOc1cc(-c2ccc(C3(c4ccc(-c5cc(O)c6ccccc6c5)cc4)c4ccccc4-c4ccccc43)cc2)cc2ccccc12
InChIInChI=1S/C45H30O2/c46-43-27-33(25-31-9-1-3-11-37(31)43)29-17-21-35(22-18-29)45(41-15-7-5-13-39(41)40-14-6-8-16-42(40)45)36-23-19-30(20-24-36)34-26-32-10-2-4-12-38(32)44(47)28-34/h1-28,46-47H
InChIKeyDLYQRAYPAGQJEL-UHFFFAOYSA-N
XLogP11.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
9-[3-[3-[9-[3-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[3-[4-[9-[4-(3-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 159639857
4-[9-[4-[4-[9-[4-hydroxy-3-(hydroxymethyl)phenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]benzene-1,2-diol
CID 170225979
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 123659386
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 22895266

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol?
The IUPAC name of 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol (CID 69231580) is 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol.
What is the SMILES notation for 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol?
The canonical SMILES for 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol is Oc1cc(-c2ccc(C3(c4ccc(-c5cc(O)c6ccccc6c5)cc4)c4ccccc4-c4ccccc43)cc2)cc2ccccc12.
What is the InChIKey of 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol?
The InChIKey is DLYQRAYPAGQJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O2/c46-43-27-33(25-31-9-1-3-11-37(31)43)29-17-21-35(22-18-29)45(41-15-7-5-13-39(41)40-14-6-8-16-42(40)45)36-23-19-30(20-24-36)34-26-32-10-2-4-12-38(32)44(47)28-34/h1-28,46-47H.
What are the key properties of 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol?
3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol has a molecular weight of 602.73 g/mol, XLogP of 11.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol is sourced from PubChem (CID 69231580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).