3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine

C54H43N — CID 170448782

IUPAC3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccccc1)c1ccc(-c4ccccc4)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)CCCC2
InChIInChI=1S/C54H43N/c1-38-30-31-41-20-14-15-27-46(41)53(38)49-36-48-47-28-16-17-29-50(47)54(42-21-8-3-9-22-42,43-23-10-4-11-24-43)51(48)37-52(49)55(44-25-12-5-13-26-44)45-34-32-40(33-35-45)39-18-6-2-7-19-39/h2-13,16-19,21-26,28-37H,14-15,20,27H2,1H3
InChIKeyAKRIADLRHXBQFJ-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.04
Rot. Bonds7

About 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine

3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 170448782) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID170448782
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC Name3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccccc1)c1ccc(-c4ccccc4)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-3)CCCC2
InChIInChI=1S/C54H43N/c1-38-30-31-41-20-14-15-27-46(41)53(38)49-36-48-47-28-16-17-29-50(47)54(42-21-8-3-9-22-42,43-23-10-4-11-24-43)51(48)37-52(49)55(44-25-12-5-13-26-44)45-34-32-40(33-35-45)39-18-6-2-7-19-39/h2-13,16-19,21-26,28-37H,14-15,20,27H2,1H3
InChIKeyAKRIADLRHXBQFJ-UHFFFAOYSA-N
XLogP14.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.04
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-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170448816
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
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
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
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-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405
N-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448795
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170447548
N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170447411

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 170448782) is 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1ccc2c(c1-c1cc3c(cc1N(c1ccccc1)c1ccc(-c4ccccc4)cc1)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-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is AKRIADLRHXBQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-38-30-31-41-20-14-15-27-46(41)53(38)49-36-48-47-28-16-17-29-50(47)54(42-21-8-3-9-22-42,43-23-10-4-11-24-43)51(48)37-52(49)55(44-25-12-5-13-26-44)45-34-32-40(33-35-45)39-18-6-2-7-19-39/h2-13,16-19,21-26,28-37H,14-15,20,27H2,1H3.
What are the key properties of 3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine?
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 705.95 g/mol, XLogP of 14.04, 7 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-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170448782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).