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

C45H47N — CID 170445422

IUPAC9,9-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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C45H47N/c1-43(2)25-26-44(3,4)41-27-32(23-24-39(41)43)46(31-17-8-7-9-18-31)42-29-40-36(35-20-12-13-22-38(35)45(40,5)6)28-37(42)34-21-14-16-30-15-10-11-19-33(30)34/h7-9,12-14,16-18,20-24,27-29H,10-11,15,19,25-26H2,1-6H3
InChIKeyBWMYFHUJZUQRHG-UHFFFAOYSA-N
MW601.88 g/mol
LogP12.36
Rot. Bonds4

About 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

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 (PubChem CID 170445422) has the molecular formula C45H47N and a molecular weight of 601.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID170445422
Molecular FormulaC45H47N
Molecular Weight601.88 g/mol
Exact Mass601.37
IUPAC Name9,9-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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C45H47N/c1-43(2)25-26-44(3,4)41-27-32(23-24-39(41)43)46(31-17-8-7-9-18-31)42-29-40-36(35-20-12-13-22-38(35)45(40,5)6)28-37(42)34-21-14-16-30-15-10-11-19-33(30)34/h7-9,12-14,16-18,20-24,27-29H,10-11,15,19,25-26H2,1-6H3
InChIKeyBWMYFHUJZUQRHG-UHFFFAOYSA-N
XLogP12.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.88
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-(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
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446758
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445158
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
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-(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-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
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446119
9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446596
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc(N(c3ccccc3)c3cc4c(cc3-c3cccc5c3CCCC5)-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is BWMYFHUJZUQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N/c1-43(2)25-26-44(3,4)41-27-32(23-24-39(41)43)46(31-17-8-7-9-18-31)42-29-40-36(35-20-12-13-22-38(35)45(40,5)6)28-37(42)34-21-14-16-30-15-10-11-19-33(30)34/h7-9,12-14,16-18,20-24,27-29H,10-11,15,19,25-26H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 601.88 g/mol, XLogP of 12.36, 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-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170445422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).