N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine

C56H45N — CID 170445420

IUPACN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3CCCC4)c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C56H45N/c1-55(2)50-31-16-14-29-46(50)48-36-49(44-30-18-20-38-19-12-13-27-43(38)44)54(37-52(48)55)57(41-25-10-5-11-26-41)42-33-34-47-45-28-15-17-32-51(45)56(53(47)35-42,39-21-6-3-7-22-39)40-23-8-4-9-24-40/h3-11,14-18,20-26,28-37H,12-13,19,27H2,1-2H3
InChIKeyRTSRPDANYUIIBH-UHFFFAOYSA-N
MW731.98 g/mol
LogP14.37
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170445420) has the molecular formula C56H45N and a molecular weight of 731.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
PubChem CID170445420
Molecular FormulaC56H45N
Molecular Weight731.98 g/mol
Exact Mass731.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3CCCC4)c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C56H45N/c1-55(2)50-31-16-14-29-46(50)48-36-49(44-30-18-20-38-19-12-13-27-43(38)44)54(37-52(48)55)57(41-25-10-5-11-26-41)42-33-34-47-45-28-15-17-32-51(45)56(53(47)35-42,39-21-6-3-7-22-39)40-23-8-4-9-24-40/h3-11,14-18,20-26,28-37H,12-13,19,27H2,1-2H3
InChIKeyRTSRPDANYUIIBH-UHFFFAOYSA-N
XLogP14.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
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
9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446367
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)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
N-(9,9-dimethylfluoren-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448968
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446540
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
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446119

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine (CID 170445420) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3cccc4c3CCCC4)c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?
The InChIKey is RTSRPDANYUIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N/c1-55(2)50-31-16-14-29-46(50)48-36-49(44-30-18-20-38-19-12-13-27-43(38)44)54(37-52(48)55)57(41-25-10-5-11-26-41)42-33-34-47-45-28-15-17-32-51(45)56(53(47)35-42,39-21-6-3-7-22-39)40-23-8-4-9-24-40/h3-11,14-18,20-26,28-37H,12-13,19,27H2,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine has a molecular weight of 731.98 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170445420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).