11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine

C51H41N — CID 170538670

IUPAC11,11-dimethyl-N-(3-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)c3cc4ccccc4cc3-c3ccccc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H41N/c1-51(2)48-33-41(28-30-45(48)46-29-25-36-16-9-11-21-44(36)50(46)51)52(40-26-23-37(24-27-40)43-22-12-19-34-15-8-10-20-42(34)43)49-32-39-18-7-6-17-38(39)31-47(49)35-13-4-3-5-14-35/h3-7,9,11-14,16-19,21-33H,8,10,15,20H2,1-2H3
InChIKeyZKUIZXHZXBFCCP-UHFFFAOYSA-N
MW667.90 g/mol
LogP13.98
Rot. Bonds5

About 11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine

11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine (PubChem CID 170538670) has the molecular formula C51H41N and a molecular weight of 667.90 g/mol. Its IUPAC name is 11,11-dimethyl-N-(3-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-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
PubChem CID170538670
Molecular FormulaC51H41N
Molecular Weight667.90 g/mol
Exact Mass667.32
IUPAC Name11,11-dimethyl-N-(3-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)c3cc4ccccc4cc3-c3ccccc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C51H41N/c1-51(2)48-33-41(28-30-45(48)46-29-25-36-16-9-11-21-44(36)50(46)51)52(40-26-23-37(24-27-40)43-22-12-19-34-15-8-10-20-42(34)43)49-32-39-18-7-6-17-38(39)31-47(49)35-13-4-3-5-14-35/h3-7,9,11-14,16-19,21-33H,8,10,15,20H2,1-2H3
InChIKeyZKUIZXHZXBFCCP-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

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
11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzo[a]fluoren-9-amine
CID 170538869
9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538744
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-[1-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538821
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
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538889
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
3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538858

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(3-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-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine (CID 170538670) is 11,11-dimethyl-N-(3-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-(3-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-(3-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)c3cc4ccccc4cc3-c3ccccc3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The InChIKey is ZKUIZXHZXBFCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N/c1-51(2)48-33-41(28-30-45(48)46-29-25-36-16-9-11-21-44(36)50(46)51)52(40-26-23-37(24-27-40)43-22-12-19-34-15-8-10-20-42(34)43)49-32-39-18-7-6-17-38(39)31-47(49)35-13-4-3-5-14-35/h3-7,9,11-14,16-19,21-33H,8,10,15,20H2,1-2H3.
What are the key properties of 11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
11,11-dimethyl-N-(3-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-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine is sourced from PubChem (CID 170538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).