7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine

C58H44N2 — CID 155323568

IUPAC7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine
SMILESC1=CC=CC(N(c2ccc3c(c2)C2(C4=C(CCC=C4)c4cc#ccc42)C2=C3C=CC(N(c3cccc4ccccc34)C3C=CC=CC3)C2)C2C=CC=CC2)=c2ccccc2=1
InChIInChI=1S/C58H44N2/c1-3-22-42(23-4-1)59(56-32-16-9-20-40-18-7-10-26-46(40)56)44-34-36-50-51-37-35-45(60(43-24-5-2-6-25-43)57-33-17-21-41-19-8-11-27-47(41)57)39-55(51)58(54(50)38-44)52-30-14-12-28-48(52)49-29-13-15-31-53(49)58/h1-11,14,16-19,21-22,24,26-27,29-38,42-43,45H,12,23,25,28,39H2
InChIKeyUPWWPLLHIDGVCK-UHFFFAOYSA-N
MW769.00 g/mol
LogP11.34
Rot. Bonds6

About 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine

7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine (PubChem CID 155323568) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine.

Molecular Properties

Compound Name7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine
PubChem CID155323568
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine
SMILESC1=CC=CC(N(c2ccc3c(c2)C2(C4=C(CCC=C4)c4cc#ccc42)C2=C3C=CC(N(c3cccc4ccccc34)C3C=CC=CC3)C2)C2C=CC=CC2)=c2ccccc2=1
InChIInChI=1S/C58H44N2/c1-3-22-42(23-4-1)59(56-32-16-9-20-40-18-7-10-26-46(40)56)44-34-36-50-51-37-35-45(60(43-24-5-2-6-25-43)57-33-17-21-41-19-8-11-27-47(41)57)39-55(51)58(54(50)38-44)52-30-14-12-28-48(52)49-29-13-15-31-53(49)58/h1-11,14,16-19,21-22,24,26-27,29-38,42-43,45H,12,23,25,28,39H2
InChIKeyUPWWPLLHIDGVCK-UHFFFAOYSA-N
XLogP11.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 145280398
CID 89104631
CID 89104631
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
9-N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-10-N,10-N-bis(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)anthracene-9,10-diamine
CID 89189750
N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
CID 170242116
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 155371764
4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
CID 135218372
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 131994219
[4-[2-[cyclohexa-2,4-dien-1-yl-(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]boronic acid
CID 144844294
N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
CID 166777300
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581

Frequently Asked Questions

What is the IUPAC name of 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine?
The IUPAC name of 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine (CID 155323568) is 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine.
What is the SMILES notation for 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine?
The canonical SMILES for 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine is C1=CC=CC(N(c2ccc3c(c2)C2(C4=C(CCC=C4)c4cc#ccc42)C2=C3C=CC(N(c3cccc4ccccc34)C3C=CC=CC3)C2)C2C=CC=CC2)=c2ccccc2=1.
What is the InChIKey of 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine?
The InChIKey is UPWWPLLHIDGVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-3-22-42(23-4-1)59(56-32-16-9-20-40-18-7-10-26-46(40)56)44-34-36-50-51-37-35-45(60(43-24-5-2-6-25-43)57-33-17-21-41-19-8-11-27-47(41)57)39-55(51)58(54(50)38-44)52-30-14-12-28-48(52)49-29-13-15-31-53(49)58/h1-11,14,16-19,21-22,24,26-27,29-38,42-43,45H,12,23,25,28,39H2.
What are the key properties of 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine?
7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine has a molecular weight of 769.00 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-benzo[7]annulen-9-yl-2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-2-N-naphthalen-1-ylspiro[1,2-dihydrofluorene-9,9'-6,7-didehydro-3,4-dihydrofluorene]-2,7-diamine is sourced from PubChem (CID 155323568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).