N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine

C62H41N — CID 139499086

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4cccc5c4c3-c3ccccc3-5)cc21
InChIInChI=1S/C62H41N/c1-61(2)51-24-9-5-17-44(51)47-35-34-41(37-56(47)61)63(57-36-31-39-15-13-23-48-43-16-3-4-20-49(43)60(57)58(39)48)40-32-29-38(30-33-40)42-22-14-28-55-59(42)50-21-8-12-27-54(50)62(55)52-25-10-6-18-45(52)46-19-7-11-26-53(46)62/h3-37H,1-2H3
InChIKeyWNUXNFUWCBAKKT-UHFFFAOYSA-N
MW800.02 g/mol
LogP16.27
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine (PubChem CID 139499086) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine
PubChem CID139499086
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4cccc5c4c3-c3ccccc3-5)cc21
InChIInChI=1S/C62H41N/c1-61(2)51-24-9-5-17-44(51)47-35-34-41(37-56(47)61)63(57-36-31-39-15-13-23-48-43-16-3-4-20-49(43)60(57)58(39)48)40-32-29-38(30-33-40)42-22-14-28-55-59(42)50-21-8-12-27-54(50)62(55)52-25-10-6-18-45(52)46-19-7-11-26-53(46)62/h3-37H,1-2H3
InChIKeyWNUXNFUWCBAKKT-UHFFFAOYSA-N
XLogP16.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine (CID 139499086) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4cccc5c4c3-c3ccccc3-5)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine?
The InChIKey is WNUXNFUWCBAKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-61(2)51-24-9-5-17-44(51)47-35-34-41(37-56(47)61)63(57-36-31-39-15-13-23-48-43-16-3-4-20-49(43)60(57)58(39)48)40-32-29-38(30-33-40)42-22-14-28-55-59(42)50-21-8-12-27-54(50)62(55)52-25-10-6-18-45(52)46-19-7-11-26-53(46)62/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine has a molecular weight of 800.02 g/mol, XLogP of 16.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine is sourced from PubChem (CID 139499086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).