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

C54H45N — CID 170228744

IUPACN-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine
SMILESCC1C=CC2=C(C1)c1c(N(c3ccc(C=Cc4cccc5ccc6ccc7c(c6c45)CCC=C7)cc3)c3ccc(-c4ccccc4)cc3)cccc1C2(C)C
InChIInChI=1S/C54H45N/c1-36-19-34-48-47(35-36)53-49(54(48,2)3)17-10-18-50(53)55(45-32-28-39(29-33-45)38-11-5-4-6-12-38)44-30-21-37(22-31-44)20-23-41-14-9-15-42-26-27-43-25-24-40-13-7-8-16-46(40)52(43)51(41)42/h4-7,9-15,17-34,36H,8,16,35H2,1-3H3
InChIKeyGGSLMXYNBQNGMA-UHFFFAOYSA-N
MW707.96 g/mol
LogP14.90
Rot. Bonds6

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

N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine (PubChem CID 170228744) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-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-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine
PubChem CID170228744
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC NameN-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine
SMILESCC1C=CC2=C(C1)c1c(N(c3ccc(C=Cc4cccc5ccc6ccc7c(c6c45)CCC=C7)cc3)c3ccc(-c4ccccc4)cc3)cccc1C2(C)C
InChIInChI=1S/C54H45N/c1-36-19-34-48-47(35-36)53-49(54(48,2)3)17-10-18-50(53)55(45-32-28-39(29-33-45)38-11-5-4-6-12-38)44-30-21-37(22-31-44)20-23-41-14-9-15-42-26-27-43-25-24-40-13-7-8-16-46(40)52(43)51(41)42/h4-7,9-15,17-34,36H,8,16,35H2,1-3H3
InChIKeyGGSLMXYNBQNGMA-UHFFFAOYSA-N
XLogP14.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 514.90
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-(3-naphthalen-2-ylphenyl)-5,6-dihydrofluoren-4-amine
CID 170228760
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[4-[3-[(1Z,3E)-5-(7-methyl-7,8-dihydronaphthalen-1-yl)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 134320830
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491

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-(4-phenylphenyl)-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-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine (CID 170228744) is N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-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-(4-phenylphenyl)-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-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine is CC1C=CC2=C(C1)c1c(N(c3ccc(C=Cc4cccc5ccc6ccc7c(c6c45)CCC=C7)cc3)c3ccc(-c4ccccc4)cc3)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-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine?
The InChIKey is GGSLMXYNBQNGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-36-19-34-48-47(35-36)53-49(54(48,2)3)17-10-18-50(53)55(45-32-28-39(29-33-45)38-11-5-4-6-12-38)44-30-21-37(22-31-44)20-23-41-14-9-15-42-26-27-43-25-24-40-13-7-8-16-46(40)52(43)51(41)42/h4-7,9-15,17-34,36H,8,16,35H2,1-3H3.
What are the key properties of N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine?
N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine has a molecular weight of 707.96 g/mol, XLogP of 14.90, 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-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine is sourced from PubChem (CID 170228744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).