2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine

C63H54N2 — CID 145396825

IUPAC2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(C3=C4C(=CC5C=CC=CC35)C3(CCCC3)c3cc(N(c5cc#ccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)c3ccccc3)cc21
InChIInChI=1S/C63H54N2/c1-61(2)53-27-15-13-25-48(53)50-32-29-44(38-55(50)61)64(42-20-7-5-8-21-42)45-31-34-52-57(40-45)63(35-17-18-36-63)58-37-41-19-11-12-24-47(41)60(59(52)58)65(43-22-9-6-10-23-43)46-30-33-51-49-26-14-16-28-54(49)62(3,4)56(51)39-46/h6-7,9-13,15-16,19-25,27-34,37-41,47H,14,17-18,26,35-36H2,1-4H3
InChIKeyYQIMTUGAVBGALX-UHFFFAOYSA-N
MW839.14 g/mol
LogP16.13
Rot. Bonds6

About 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine

2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine (PubChem CID 145396825) has the molecular formula C63H54N2 and a molecular weight of 839.14 g/mol. Its IUPAC name is 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
PubChem CID145396825
Molecular FormulaC63H54N2
Molecular Weight839.14 g/mol
Exact Mass838.43
IUPAC Name2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(C3=C4C(=CC5C=CC=CC35)C3(CCCC3)c3cc(N(c5cc#ccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)c3ccccc3)cc21
InChIInChI=1S/C63H54N2/c1-61(2)53-27-15-13-25-48(53)50-32-29-44(38-55(50)61)64(42-20-7-5-8-21-42)45-31-34-52-57(40-45)63(35-17-18-36-63)58-37-41-19-11-12-24-47(41)60(59(52)58)65(43-22-9-6-10-23-43)46-30-33-51-49-26-14-16-28-54(49)62(3,4)56(51)39-46/h6-7,9-13,15-16,19-25,27-34,37-41,47H,14,17-18,26,35-36H2,1-4H3
InChIKeyYQIMTUGAVBGALX-UHFFFAOYSA-N
XLogP16.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.14
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine with MolForge

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Related Compounds

11,11-dimethyl-2-N,2-N,5-N,5-N-tetrakis(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
CID 145396686
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
CID 138489071
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
6-[(E)-2-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethylfluoren-2-yl)amino]phenyl]ethenyl]thieno[2,3-f][1]benzothiole-2-carbaldehyde
CID 88948493
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89189714

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
The IUPAC name of 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine (CID 145396825) is 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
The canonical SMILES for 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine is CC1(C)C2=C(CCC=C2)c2ccc(N(C3=C4C(=CC5C=CC=CC35)C3(CCCC3)c3cc(N(c5cc#ccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)c3ccccc3)cc21.
What is the InChIKey of 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
The InChIKey is YQIMTUGAVBGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2/c1-61(2)53-27-15-13-25-48(53)50-32-29-44(38-55(50)61)64(42-20-7-5-8-21-42)45-31-34-52-57(40-45)63(35-17-18-36-63)58-37-41-19-11-12-24-47(41)60(59(52)58)65(43-22-9-6-10-23-43)46-30-33-51-49-26-14-16-28-54(49)62(3,4)56(51)39-46/h6-7,9-13,15-16,19-25,27-34,37-41,47H,14,17-18,26,35-36H2,1-4H3.
What are the key properties of 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine?
2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine has a molecular weight of 839.14 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine is sourced from PubChem (CID 145396825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).