4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol

C37H28N2O2 — CID 141279487

IUPAC4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESNc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N)cc4)ccc2C3(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C37H28N2O2/c38-29-11-1-23(2-12-29)25-5-19-35-33(21-25)34-22-26(24-3-13-30(39)14-4-24)6-20-36(34)37(35,27-7-15-31(40)16-8-27)28-9-17-32(41)18-10-28/h1-22,40-41H,38-39H2
InChIKeyRHWPTTUXMZCSJI-UHFFFAOYSA-N
MW532.64 g/mol
LogP7.96
Rot. Bonds4

About 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol

4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 141279487) has the molecular formula C37H28N2O2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID141279487
Molecular FormulaC37H28N2O2
Molecular Weight532.64 g/mol
Exact Mass532.22
IUPAC Name4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESNc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N)cc4)ccc2C3(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C37H28N2O2/c38-29-11-1-23(2-12-29)25-5-19-35-33(21-25)34-22-26(24-3-13-30(39)14-4-24)6-20-36(34)37(35,27-7-15-31(40)16-8-27)28-9-17-32(41)18-10-28/h1-22,40-41H,38-39H2
InChIKeyRHWPTTUXMZCSJI-UHFFFAOYSA-N
XLogP7.96
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 57.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol
CID 91334684
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
3,9,9-triphenylfluorene
CID 140844354
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
CID 146414271
CID 146414271
4-(3,4-diaminophenyl)phenol
CID 19907643
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
4-(4-aminophenyl)aniline;phenol
CID 159428015
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629847

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol (CID 141279487) is 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol is Nc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N)cc4)ccc2C3(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is RHWPTTUXMZCSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O2/c38-29-11-1-23(2-12-29)25-5-19-35-33(21-25)34-22-26(24-3-13-30(39)14-4-24)6-20-36(34)37(35,27-7-15-31(40)16-8-27)28-9-17-32(41)18-10-28/h1-22,40-41H,38-39H2.
What are the key properties of 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 532.64 g/mol, XLogP of 7.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 141279487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).