6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol

C61H38O2 — CID 165116782

IUPAC6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4c(cccc4-c4cc5ccccc5c5ccccc45)-c4cccc(-c5cc6ccccc6c6ccccc56)c43)ccc2c1
InChIInChI=1S/C61H38O2/c62-45-29-25-37-31-43(27-23-39(37)33-45)61(44-28-24-40-34-46(63)30-26-38(40)32-44)59-53(19-9-21-55(59)57-35-41-11-1-3-13-47(41)49-15-5-7-17-51(49)57)54-20-10-22-56(60(54)61)58-36-42-12-2-4-14-48(42)50-16-6-8-18-52(50)58/h1-36,62-63H
InChIKeyUQDJVEUXDOJIJR-UHFFFAOYSA-N
MW802.97 g/mol
LogP15.71
Rot. Bonds4

About 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol

6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol (PubChem CID 165116782) has the molecular formula C61H38O2 and a molecular weight of 802.97 g/mol. Its IUPAC name is 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol
PubChem CID165116782
Molecular FormulaC61H38O2
Molecular Weight802.97 g/mol
Exact Mass802.29
IUPAC Name6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4c(cccc4-c4cc5ccccc5c5ccccc45)-c4cccc(-c5cc6ccccc6c6ccccc56)c43)ccc2c1
InChIInChI=1S/C61H38O2/c62-45-29-25-37-31-43(27-23-39(37)33-45)61(44-28-24-40-34-46(63)30-26-38(40)32-44)59-53(19-9-21-55(59)57-35-41-11-1-3-13-47(41)49-15-5-7-17-51(49)57)54-20-10-22-56(60(54)61)58-36-42-12-2-4-14-48(42)50-16-6-8-18-52(50)58/h1-36,62-63H
InChIKeyUQDJVEUXDOJIJR-UHFFFAOYSA-N
XLogP15.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.97
LogP ≤ 515.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[18,27-bis(6-hydroxynaphthalen-2-yl)-9,18,27-trinaphthalen-2-yl-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491411
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491369
6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491461
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
9-naphthalen-1-ylphenanthrene
CID 20606742
6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
CID 130222612
naphthalen-2-ol
CID 71750931

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol?
The IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol (CID 165116782) is 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol?
The canonical SMILES for 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4c(cccc4-c4cc5ccccc5c5ccccc45)-c4cccc(-c5cc6ccccc6c6ccccc56)c43)ccc2c1.
What is the InChIKey of 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol?
The InChIKey is UQDJVEUXDOJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38O2/c62-45-29-25-37-31-43(27-23-39(37)33-45)61(44-28-24-40-34-46(63)30-26-38(40)32-44)59-53(19-9-21-55(59)57-35-41-11-1-3-13-47(41)49-15-5-7-17-51(49)57)54-20-10-22-56(60(54)61)58-36-42-12-2-4-14-48(42)50-16-6-8-18-52(50)58/h1-36,62-63H.
What are the key properties of 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol?
6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol has a molecular weight of 802.97 g/mol, XLogP of 15.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol is sourced from PubChem (CID 165116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).