3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

C52H45N — CID 170448816

IUPAC3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)CCCC4)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)CCCC2
InChIInChI=1S/C52H45N/c1-36-29-30-38-18-13-14-26-44(38)51(36)47-34-46-45-27-15-16-28-48(45)52(40-20-5-2-6-21-40,41-22-7-3-8-23-41)49(46)35-50(47)53(42-24-9-4-10-25-42)43-32-31-37-17-11-12-19-39(37)33-43/h2-10,15-16,20-25,27-35H,11-14,17-19,26H2,1H3
InChIKeyZIJIEOUNXZATHC-UHFFFAOYSA-N
MW683.94 g/mol
LogP13.25
Rot. Bonds6

About 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170448816) has the molecular formula C52H45N and a molecular weight of 683.94 g/mol. Its IUPAC name is 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound Name3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
PubChem CID170448816
Molecular FormulaC52H45N
Molecular Weight683.94 g/mol
Exact Mass683.36
IUPAC Name3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)CCCC4)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)CCCC2
InChIInChI=1S/C52H45N/c1-36-29-30-38-18-13-14-26-44(38)51(36)47-34-46-45-27-15-16-28-48(45)52(40-20-5-2-6-21-40,41-22-7-3-8-23-41)49(46)35-50(47)53(42-24-9-4-10-25-42)43-32-31-37-17-11-12-19-39(37)33-43/h2-10,15-16,20-25,27-35H,11-14,17-19,26H2,1H3
InChIKeyZIJIEOUNXZATHC-UHFFFAOYSA-N
XLogP13.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.94
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170448782
N,N,9,9-tetraphenyl-3-(2-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170448863
3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449441
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
N-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
3'-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N-(4-phenylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449442
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 170449270
N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447927
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170448816) is 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is Cc1ccc2c(c1-c1cc3c(cc1N(c1ccccc1)c1ccc4c(c1)CCCC4)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)CCCC2.
What is the InChIKey of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The InChIKey is ZIJIEOUNXZATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N/c1-36-29-30-38-18-13-14-26-44(38)51(36)47-34-46-45-27-15-16-28-48(45)52(40-20-5-2-6-21-40,41-22-7-3-8-23-41)49(46)35-50(47)53(42-24-9-4-10-25-42)43-32-31-37-17-11-12-19-39(37)33-43/h2-10,15-16,20-25,27-35H,11-14,17-19,26H2,1H3.
What are the key properties of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 683.94 g/mol, XLogP of 13.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170448816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).