N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine

C27H23NO2 — CID 161479064

IUPACN,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C27H23NO2/c1-29-24-13-9-21(10-14-24)28(22-11-15-25(30-2)16-12-22)23-8-7-20-17-19-5-3-4-6-26(19)27(20)18-23/h3-16,18H,17H2,1-2H3
InChIKeyPENLKHCZVYHKBH-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.74
Rot. Bonds5

About N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine

N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine (PubChem CID 161479064) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
PubChem CID161479064
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC NameN,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2ccccc2C3)cc1
InChIInChI=1S/C27H23NO2/c1-29-24-13-9-21(10-14-24)28(22-11-15-25(30-2)16-12-22)23-8-7-20-17-19-5-3-4-6-26(19)27(20)18-23/h3-16,18H,17H2,1-2H3
InChIKeyPENLKHCZVYHKBH-UHFFFAOYSA-N
XLogP6.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
CID 145318490
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine?
The IUPAC name of N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine (CID 161479064) is N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2ccccc2C3)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine?
The InChIKey is PENLKHCZVYHKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-29-24-13-9-21(10-14-24)28(22-11-15-25(30-2)16-12-22)23-8-7-20-17-19-5-3-4-6-26(19)27(20)18-23/h3-16,18H,17H2,1-2H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine?
N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine has a molecular weight of 393.49 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine is sourced from PubChem (CID 161479064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).