[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol

C41H36N2O2 — CID 20580158

IUPAC[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc(CO)c3)ccc2-c2ccc(N(c3ccccc3)c3cccc(CO)c3)cc21
InChIInChI=1S/C41H36N2O2/c1-41(2)39-25-35(42(31-13-5-3-6-14-31)33-17-9-11-29(23-33)27-44)19-21-37(39)38-22-20-36(26-40(38)41)43(32-15-7-4-8-16-32)34-18-10-12-30(24-34)28-45/h3-26,44-45H,27-28H2,1-2H3
InChIKeyGNUULILCEADKDT-UHFFFAOYSA-N
MW588.75 g/mol
LogP9.92
Rot. Bonds8

About [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol

[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol (PubChem CID 20580158) has the molecular formula C41H36N2O2 and a molecular weight of 588.75 g/mol. Its IUPAC name is [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol.

Molecular Properties

Compound Name[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
PubChem CID20580158
Molecular FormulaC41H36N2O2
Molecular Weight588.75 g/mol
Exact Mass588.28
IUPAC Name[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
SMILESCC1(C)c2cc(N(c3ccccc3)c3cccc(CO)c3)ccc2-c2ccc(N(c3ccccc3)c3cccc(CO)c3)cc21
InChIInChI=1S/C41H36N2O2/c1-41(2)39-25-35(42(31-13-5-3-6-14-31)33-17-9-11-29(23-33)27-44)19-21-37(39)38-22-20-36(26-40(38)41)43(32-15-7-4-8-16-32)34-18-10-12-30(24-34)28-45/h3-26,44-45H,27-28H2,1-2H3
InChIKeyGNUULILCEADKDT-UHFFFAOYSA-N
XLogP9.92
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 59.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine
CID 145202751
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802

Frequently Asked Questions

What is the IUPAC name of [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol?
The IUPAC name of [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol (CID 20580158) is [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol.
What is the SMILES notation for [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol?
The canonical SMILES for [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol is CC1(C)c2cc(N(c3ccccc3)c3cccc(CO)c3)ccc2-c2ccc(N(c3ccccc3)c3cccc(CO)c3)cc21.
What is the InChIKey of [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol?
The InChIKey is GNUULILCEADKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2O2/c1-41(2)39-25-35(42(31-13-5-3-6-14-31)33-17-9-11-29(23-33)27-44)19-21-37(39)38-22-20-36(26-40(38)41)43(32-15-7-4-8-16-32)34-18-10-12-30(24-34)28-45/h3-26,44-45H,27-28H2,1-2H3.
What are the key properties of [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol?
[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol has a molecular weight of 588.75 g/mol, XLogP of 9.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol is sourced from PubChem (CID 20580158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).