11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine

C51H41N — CID 170538867

IUPAC11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4ccccc4c3-c3ccccc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H41N/c1-51(2)47-33-40(29-31-45(47)46-30-25-36-15-8-11-21-44(36)50(46)51)52(39-27-23-37(24-28-39)42-22-12-18-34-13-6-9-19-41(34)42)48-32-26-35-14-7-10-20-43(35)49(48)38-16-4-3-5-17-38/h3-5,7-8,10-12,14-18,20-33H,6,9,13,19H2,1-2H3
InChIKeyHVDKAGWFDOSUFC-UHFFFAOYSA-N
MW667.90 g/mol
LogP13.98
Rot. Bonds5

About 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine

11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine (PubChem CID 170538867) has the molecular formula C51H41N and a molecular weight of 667.90 g/mol. Its IUPAC name is 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
PubChem CID170538867
Molecular FormulaC51H41N
Molecular Weight667.90 g/mol
Exact Mass667.32
IUPAC Name11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4ccccc4c3-c3ccccc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H41N/c1-51(2)47-33-40(29-31-45(47)46-30-25-36-15-8-11-21-44(36)50(46)51)52(39-27-23-37(24-28-39)42-22-12-18-34-13-6-9-19-41(34)42)48-32-26-35-14-7-10-20-43(35)49(48)38-16-4-3-5-17-38/h3-5,7-8,10-12,14-18,20-33H,6,9,13,19H2,1-2H3
InChIKeyHVDKAGWFDOSUFC-UHFFFAOYSA-N
XLogP13.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.90
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538821
11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538670
11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzo[a]fluoren-9-amine
CID 170538869
N-[2-(1-adamantyl)phenyl]-11,11-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538872
11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538764
11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
CID 170538826
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
7,7-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 170538642

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The IUPAC name of 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine (CID 170538867) is 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine.
What is the SMILES notation for 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The canonical SMILES for 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine is CC1(C)c2cc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3ccc4ccccc4c3-c3ccccc3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The InChIKey is HVDKAGWFDOSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N/c1-51(2)47-33-40(29-31-45(47)46-30-25-36-15-8-11-21-44(36)50(46)51)52(39-27-23-37(24-28-39)42-22-12-18-34-13-6-9-19-41(34)42)48-32-26-35-14-7-10-20-43(35)49(48)38-16-4-3-5-17-38/h3-5,7-8,10-12,14-18,20-33H,6,9,13,19H2,1-2H3.
What are the key properties of 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine has a molecular weight of 667.90 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine is sourced from PubChem (CID 170538867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).