7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine

C55H39N — CID 169285163

IUPAC7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4cccc(-c5ccccc5)c34)cc1)c1ccc3c(ccc4ccccc43)c1)c1ccccc21
InChIInChI=1S/C55H39N/c1-55(2)50-25-11-10-22-49(50)54-48-21-9-8-20-47(48)52(35-51(54)55)56(42-32-33-44-40(34-42)27-26-37-16-6-7-19-43(37)44)41-30-28-38(29-31-41)46-24-13-18-39-17-12-23-45(53(39)46)36-14-4-3-5-15-36/h3-35H,1-2H3
InChIKeyMTQWAOBJJCMOHA-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine

7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine (PubChem CID 169285163) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
PubChem CID169285163
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4cccc(-c5ccccc5)c34)cc1)c1ccc3c(ccc4ccccc43)c1)c1ccccc21
InChIInChI=1S/C55H39N/c1-55(2)50-25-11-10-22-49(50)54-48-21-9-8-20-47(48)52(35-51(54)55)56(42-32-33-44-40(34-42)27-26-37-16-6-7-19-43(37)44)41-30-28-38(29-31-41)46-24-13-18-39-17-12-23-45(53(39)46)36-14-4-3-5-15-36/h3-35H,1-2H3
InChIKeyMTQWAOBJJCMOHA-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285507
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285470
N-(2-benzo[g]phenanthren-4-yl-9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 167182132
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-naphthalen-1-ylphenanthren-2-amine
CID 169039825
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290172
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285597
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
The IUPAC name of 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine (CID 169285163) is 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine.
What is the SMILES notation for 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
The canonical SMILES for 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine is CC1(C)c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4cccc(-c5ccccc5)c34)cc1)c1ccc3c(ccc4ccccc43)c1)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
The InChIKey is MTQWAOBJJCMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)50-25-11-10-22-49(50)54-48-21-9-8-20-47(48)52(35-51(54)55)56(42-32-33-44-40(34-42)27-26-37-16-6-7-19-43(37)44)41-30-28-38(29-31-41)46-24-13-18-39-17-12-23-45(53(39)46)36-14-4-3-5-15-36/h3-35H,1-2H3.
What are the key properties of 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine is sourced from PubChem (CID 169285163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).