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

C41H39N — CID 170445163

IUPAC9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)CCCC4)c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C41H39N/c1-41(2)38-19-11-10-18-35(38)37-26-36(32-21-20-28-12-6-8-14-30(28)24-32)40(27-39(37)41)42(33-16-4-3-5-17-33)34-23-22-29-13-7-9-15-31(29)25-34/h3-5,10-11,16-27H,6-9,12-15H2,1-2H3
InChIKeyVQMDKVYDOKCLJX-UHFFFAOYSA-N
MW545.77 g/mol
LogP10.89
Rot. Bonds4

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

9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170445163) has the molecular formula C41H39N and a molecular weight of 545.77 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
PubChem CID170445163
Molecular FormulaC41H39N
Molecular Weight545.77 g/mol
Exact Mass545.31
IUPAC Name9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)CCCC4)c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C41H39N/c1-41(2)38-19-11-10-18-35(38)37-26-36(32-21-20-28-12-6-8-14-30(28)24-32)40(27-39(37)41)42(33-16-4-3-5-17-33)34-23-22-29-13-7-9-15-31(29)25-34/h3-5,10-11,16-27H,6-9,12-15H2,1-2H3
InChIKeyVQMDKVYDOKCLJX-UHFFFAOYSA-N
XLogP10.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.77
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211
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-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445933
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446751
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445964
N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448208
9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446938
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446806
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
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-(9,9-dimethyl-3-triphenylen-2-ylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 178165806

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170445163) is 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)CCCC4)c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The InChIKey is VQMDKVYDOKCLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N/c1-41(2)38-19-11-10-18-35(38)37-26-36(32-21-20-28-12-6-8-14-30(28)24-32)40(27-39(37)41)42(33-16-4-3-5-17-33)34-23-22-29-13-7-9-15-31(29)25-34/h3-5,10-11,16-27H,6-9,12-15H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 545.77 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170445163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).