N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine

C58H47N — CID 170228760

IUPACN-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine
SMILESCC1C=CC2=C(C1)c1c(N(c3ccc(C=Cc4cccc5ccc6ccc7c(c6c45)CCC=C7)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cccc1C2(C)C
InChIInChI=1S/C58H47N/c1-38-21-34-52-51(35-38)57-53(58(52,2)3)19-10-20-54(57)59(49-17-9-16-46(37-49)47-31-26-40-11-4-5-13-45(40)36-47)48-32-23-39(24-33-48)22-25-42-14-8-15-43-29-30-44-28-27-41-12-6-7-18-50(41)56(44)55(42)43/h4-6,8-17,19-34,36-38H,7,18,35H2,1-3H3
InChIKeyRYMGSPBUEZQWMP-UHFFFAOYSA-N
MW758.02 g/mol
LogP16.05
Rot. Bonds6

About N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine

N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine (PubChem CID 170228760) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine.

Molecular Properties

Compound NameN-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine
PubChem CID170228760
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC NameN-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine
SMILESCC1C=CC2=C(C1)c1c(N(c3ccc(C=Cc4cccc5ccc6ccc7c(c6c45)CCC=C7)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cccc1C2(C)C
InChIInChI=1S/C58H47N/c1-38-21-34-52-51(35-38)57-53(58(52,2)3)19-10-20-54(57)59(49-17-9-16-46(37-49)47-31-26-40-11-4-5-13-45(40)36-47)48-32-23-39(24-33-48)22-25-42-14-8-15-43-29-30-44-28-27-41-12-6-7-18-50(41)56(44)55(42)43/h4-6,8-17,19-34,36-38H,7,18,35H2,1-3H3
InChIKeyRYMGSPBUEZQWMP-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine
CID 170228744
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine?
The IUPAC name of N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine (CID 170228760) is N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine.
What is the SMILES notation for N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine?
The canonical SMILES for N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine is CC1C=CC2=C(C1)c1c(N(c3ccc(C=Cc4cccc5ccc6ccc7c(c6c45)CCC=C7)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cccc1C2(C)C.
What is the InChIKey of N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine?
The InChIKey is RYMGSPBUEZQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-38-21-34-52-51(35-38)57-53(58(52,2)3)19-10-20-54(57)59(49-17-9-16-46(37-49)47-31-26-40-11-4-5-13-45(40)36-47)48-32-23-39(24-33-48)22-25-42-14-8-15-43-29-30-44-28-27-41-12-6-7-18-50(41)56(44)55(42)43/h4-6,8-17,19-34,36-38H,7,18,35H2,1-3H3.
What are the key properties of N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine?
N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine has a molecular weight of 758.02 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine is sourced from PubChem (CID 170228760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).