11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine

C51H37N — CID 164774770

IUPAC11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cccc21
InChIInChI=1S/C51H37N/c1-51(2)45-27-14-28-47(50(45)44-32-38-19-6-7-20-39(38)33-46(44)51)52(40-23-12-22-37(31-40)34-15-4-3-5-16-34)48-30-29-36-18-9-11-25-42(36)49(48)43-26-13-21-35-17-8-10-24-41(35)43/h3-33H,1-2H3
InChIKeyDKHDMTQDPUONHF-UHFFFAOYSA-N
MW663.86 g/mol
LogP14.26
Rot. Bonds5

About 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine

11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine (PubChem CID 164774770) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine
PubChem CID164774770
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cccc21
InChIInChI=1S/C51H37N/c1-51(2)45-27-14-28-47(50(45)44-32-38-19-6-7-20-39(38)33-46(44)51)52(40-23-12-22-37(31-40)34-15-4-3-5-16-34)48-30-29-36-18-9-11-25-42(36)49(48)43-26-13-21-35-17-8-10-24-41(35)43/h3-33H,1-2H3
InChIKeyDKHDMTQDPUONHF-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylbenzo[b]fluoren-4-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[b]fluoren-4-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[b]fluoren-4-amine
CID 164971638
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 164774109
12,12,22,22-tetramethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaen-17-amine
CID 155095526
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenylbenzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[h]fluoren-1-amine
CID 165109640
N-(4-methoxyphenyl)-1-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 164774334
1-naphthalen-1-yl-N,N-bis(2-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N,N-bis(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164980221

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine?
The IUPAC name of 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine (CID 164774770) is 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine.
What is the SMILES notation for 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine?
The canonical SMILES for 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine is CC1(C)c2cc3ccccc3cc2-c2c(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cccc21.
What is the InChIKey of 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine?
The InChIKey is DKHDMTQDPUONHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)45-27-14-28-47(50(45)44-32-38-19-6-7-20-39(38)33-46(44)51)52(40-23-12-22-37(31-40)34-15-4-3-5-16-34)48-30-29-36-18-9-11-25-42(36)49(48)43-26-13-21-35-17-8-10-24-41(35)43/h3-33H,1-2H3.
What are the key properties of 11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine?
11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine has a molecular weight of 663.86 g/mol, XLogP of 14.26, 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-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)benzo[b]fluoren-4-amine is sourced from PubChem (CID 164774770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).