N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine

C62H51N — CID 156558178

IUPACN-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCC(c4ccc5ccccc5c4-c4ccccc4)CC3)c3cccc4c3-c3ccccc3C4(C3=CC=CCC3)c3ccccc3)cc21
InChIInChI=1S/C62H51N/c1-61(2)54-29-16-14-27-51(54)52-40-38-48(41-57(52)61)63(47-36-33-43(34-37-47)50-39-35-42-19-12-13-26-49(42)59(50)44-20-6-3-7-21-44)58-32-18-31-56-60(58)53-28-15-17-30-55(53)62(56,45-22-8-4-9-23-45)46-24-10-5-11-25-46/h3-10,12-24,26-32,35-36,38-41,43H,11,25,33-34,37H2,1-2H3
InChIKeyJFQPNQYPZMASRS-UHFFFAOYSA-N
MW810.10 g/mol
LogP16.39
Rot. Bonds7

About N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine

N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine (PubChem CID 156558178) has the molecular formula C62H51N and a molecular weight of 810.10 g/mol. Its IUPAC name is N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine
PubChem CID156558178
Molecular FormulaC62H51N
Molecular Weight810.10 g/mol
Exact Mass809.40
IUPAC NameN-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCC(c4ccc5ccccc5c4-c4ccccc4)CC3)c3cccc4c3-c3ccccc3C4(C3=CC=CCC3)c3ccccc3)cc21
InChIInChI=1S/C62H51N/c1-61(2)54-29-16-14-27-51(54)52-40-38-48(41-57(52)61)63(47-36-33-43(34-37-47)50-39-35-42-19-12-13-26-49(42)59(50)44-20-6-3-7-21-44)58-32-18-31-56-60(58)53-28-15-17-30-55(53)62(56,45-22-8-4-9-23-45)46-24-10-5-11-25-46/h3-10,12-24,26-32,35-36,38-41,43H,11,25,33-34,37H2,1-2H3
InChIKeyJFQPNQYPZMASRS-UHFFFAOYSA-N
XLogP16.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.10
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129259070
N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 167293388
N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193279
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
CID 129266491
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 159690368
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 126548871
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812120
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 135193217

Frequently Asked Questions

What is the IUPAC name of N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine?
The IUPAC name of N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine (CID 156558178) is N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine.
What is the SMILES notation for N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine?
The canonical SMILES for N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CCC(c4ccc5ccccc5c4-c4ccccc4)CC3)c3cccc4c3-c3ccccc3C4(C3=CC=CCC3)c3ccccc3)cc21.
What is the InChIKey of N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine?
The InChIKey is JFQPNQYPZMASRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N/c1-61(2)54-29-16-14-27-51(54)52-40-38-48(41-57(52)61)63(47-36-33-43(34-37-47)50-39-35-42-19-12-13-26-49(42)59(50)44-20-6-3-7-21-44)58-32-18-31-56-60(58)53-28-15-17-30-55(53)62(56,45-22-8-4-9-23-45)46-24-10-5-11-25-46/h3-10,12-24,26-32,35-36,38-41,43H,11,25,33-34,37H2,1-2H3.
What are the key properties of N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine?
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine has a molecular weight of 810.10 g/mol, XLogP of 16.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)cyclohexen-1-yl]fluoren-2-amine is sourced from PubChem (CID 156558178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).