N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine

C54H41N — CID 89139267

IUPACN-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(=C\c1ccccc1)c1c2ccccc2c(-c2ccc3c(c2)C2=C(C=CCC2)C3(C)C)c2cc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C54H41N/c1-35-16-7-14-27-50(35)55-51(32-36-17-5-4-6-18-36)53-44-24-11-10-23-43(44)52(39-29-31-49-46(34-39)42-22-12-13-26-48(42)54(49,2)3)47-33-38(28-30-45(47)53)41-25-15-20-37-19-8-9-21-40(37)41/h4-11,13-21,23-34H,1,12,22H2,2-3H3/b51-32+,55-50+
InChIKeyNUGZSZZCFORLRZ-SKDWBTSUSA-N
MW703.93 g/mol
LogP14.50
Rot. Bonds5

About N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine

N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 89139267) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID89139267
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C(=C\c1ccccc1)c1c2ccccc2c(-c2ccc3c(c2)C2=C(C=CCC2)C3(C)C)c2cc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C54H41N/c1-35-16-7-14-27-50(35)55-51(32-36-17-5-4-6-18-36)53-44-24-11-10-23-43(44)52(39-29-31-49-46(34-39)42-22-12-13-26-48(42)54(49,2)3)47-33-38(28-30-45(47)53)41-25-15-20-37-19-8-9-21-40(37)41/h4-11,13-21,23-34H,1,12,22H2,2-3H3/b51-32+,55-50+
InChIKeyNUGZSZZCFORLRZ-SKDWBTSUSA-N
XLogP14.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine with MolForge

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Related Compounds

9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene
CID 89139270
9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
CID 89139288
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
CID 59196077
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194690
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
2-[2-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199241
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine (CID 89139267) is N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N\C(=C\c1ccccc1)c1c2ccccc2c(-c2ccc3c(c2)C2=C(C=CCC2)C3(C)C)c2cc(-c3cccc4ccccc34)ccc12.
What is the InChIKey of N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is NUGZSZZCFORLRZ-SKDWBTSUSA-N. The full InChI is InChI=1S/C54H41N/c1-35-16-7-14-27-50(35)55-51(32-36-17-5-4-6-18-36)53-44-24-11-10-23-43(44)52(39-29-31-49-46(34-39)42-22-12-13-26-48(42)54(49,2)3)47-33-38(28-30-45(47)53)41-25-15-20-37-19-8-9-21-40(37)41/h4-11,13-21,23-34H,1,12,22H2,2-3H3/b51-32+,55-50+.
What are the key properties of N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine?
N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 703.93 g/mol, XLogP of 14.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 89139267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).