3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline

C44H32N2 — CID 150438083

IUPAC3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
SMILESNc1cccc(-c2ccc3c(c2-c2cccc(-c4c(-c5cccc(N)c5)ccc5c4Cc4ccccc4-5)c2)Cc2ccccc2-3)c1
InChIInChI=1S/C44H32N2/c45-33-14-6-10-27(23-33)37-18-20-39-35-16-3-1-8-29(35)25-41(39)43(37)31-12-5-13-32(22-31)44-38(28-11-7-15-34(46)24-28)19-21-40-36-17-4-2-9-30(36)26-42(40)44/h1-24H,25-26,45-46H2
InChIKeyHLENYYMUELTTFO-UHFFFAOYSA-N
MW588.75 g/mol
LogP10.66
Rot. Bonds4

About 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline

3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline (PubChem CID 150438083) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline.

Molecular Properties

Compound Name3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
PubChem CID150438083
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
SMILESNc1cccc(-c2ccc3c(c2-c2cccc(-c4c(-c5cccc(N)c5)ccc5c4Cc4ccccc4-5)c2)Cc2ccccc2-3)c1
InChIInChI=1S/C44H32N2/c45-33-14-6-10-27(23-33)37-18-20-39-35-16-3-1-8-29(35)25-41(39)43(37)31-12-5-13-32(22-31)44-38(28-11-7-15-34(46)24-28)19-21-40-36-17-4-2-9-30(36)26-42(40)44/h1-24H,25-26,45-46H2
InChIKeyHLENYYMUELTTFO-UHFFFAOYSA-N
XLogP10.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 510.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
CID 18519384
3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
3-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline
CID 139501279
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
4-(2-bromo-9H-fluoren-1-yl)aniline
CID 175575602
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 141135954

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline?
The IUPAC name of 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline (CID 150438083) is 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline.
What is the SMILES notation for 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline?
The canonical SMILES for 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline is Nc1cccc(-c2ccc3c(c2-c2cccc(-c4c(-c5cccc(N)c5)ccc5c4Cc4ccccc4-5)c2)Cc2ccccc2-3)c1.
What is the InChIKey of 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline?
The InChIKey is HLENYYMUELTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c45-33-14-6-10-27(23-33)37-18-20-39-35-16-3-1-8-29(35)25-41(39)43(37)31-12-5-13-32(22-31)44-38(28-11-7-15-34(46)24-28)19-21-40-36-17-4-2-9-30(36)26-42(40)44/h1-24H,25-26,45-46H2.
What are the key properties of 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline?
3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline has a molecular weight of 588.75 g/mol, XLogP of 10.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline is sourced from PubChem (CID 150438083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).