N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C61H49N — CID 156573739

IUPACN-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4cccc6c4C54C5CC7CC(C5)C6C4C7)cc3)cc21
InChIInChI=1S/C61H49N/c1-60(2)54-14-7-6-11-49(54)50-29-28-48(36-56(50)60)62(46-24-19-41(20-25-46)40-17-15-39(16-18-40)38-9-4-3-5-10-38)47-26-21-42(22-27-47)43-23-30-55-53(35-43)51-12-8-13-52-58-44-31-37-32-45(34-44)61(55,59(51)52)57(58)33-37/h3-30,35-37,44-45,57-58H,31-34H2,1-2H3
InChIKeyCREWYXLZLRXYBY-UHFFFAOYSA-N
MW796.07 g/mol
LogP15.89
Rot. Bonds6

About N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 156573739) has the molecular formula C61H49N and a molecular weight of 796.07 g/mol. Its IUPAC name is N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID156573739
Molecular FormulaC61H49N
Molecular Weight796.07 g/mol
Exact Mass795.39
IUPAC NameN-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4cccc6c4C54C5CC7CC(C5)C6C4C7)cc3)cc21
InChIInChI=1S/C61H49N/c1-60(2)54-14-7-6-11-49(54)50-29-28-48(36-56(50)60)62(46-24-19-41(20-25-46)40-17-15-39(16-18-40)38-9-4-3-5-10-38)47-26-21-42(22-27-47)43-23-30-55-53(35-43)51-12-8-13-52-58-44-31-37-32-45(34-44)61(55,59(51)52)57(58)33-37/h3-30,35-37,44-45,57-58H,31-34H2,1-2H3
InChIKeyCREWYXLZLRXYBY-UHFFFAOYSA-N
XLogP15.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.07
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
6-phenyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-1'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168734200

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 156573739) is N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4cccc6c4C54C5CC7CC(C5)C6C4C7)cc3)cc21.
What is the InChIKey of N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is CREWYXLZLRXYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N/c1-60(2)54-14-7-6-11-49(54)50-29-28-48(36-56(50)60)62(46-24-19-41(20-25-46)40-17-15-39(16-18-40)38-9-4-3-5-10-38)47-26-21-42(22-27-47)43-23-30-55-53(35-43)51-12-8-13-52-58-44-31-37-32-45(34-44)61(55,59(51)52)57(58)33-37/h3-30,35-37,44-45,57-58H,31-34H2,1-2H3.
What are the key properties of N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 796.07 g/mol, XLogP of 15.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 156573739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).