N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

C68H47N — CID 168811969

IUPACN-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)c21
InChIInChI=1S/C68H47N/c1-67(2)59-31-14-11-28-55(59)58-30-18-34-63(65(58)67)69(48-38-35-46(36-39-48)51-25-10-9-24-50(51)44-19-5-3-6-20-44)49-40-42-56-53-26-12-15-32-60(53)68(62(56)43-49)61-33-16-13-27-54(61)57-29-17-23-47-37-41-52(66(68)64(47)57)45-21-7-4-8-22-45/h3-43H,1-2H3
InChIKeyMMNJWVNVJXCKJA-UHFFFAOYSA-N
MW878.13 g/mol
LogP17.96
Rot. Bonds6

About N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168811969) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168811969
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)c21
InChIInChI=1S/C68H47N/c1-67(2)59-31-14-11-28-55(59)58-30-18-34-63(65(58)67)69(48-38-35-46(36-39-48)51-25-10-9-24-50(51)44-19-5-3-6-20-44)49-40-42-56-53-26-12-15-32-60(53)68(62(56)43-49)61-33-16-13-27-54(61)57-29-17-23-47-37-41-52(66(68)64(47)57)45-21-7-4-8-22-45/h3-43H,1-2H3
InChIKeyMMNJWVNVJXCKJA-UHFFFAOYSA-N
XLogP17.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812101
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[8-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379426
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-4'-phenyl-9,9'-spirobi[fluorene]-1-amine
CID 129258882
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412
N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 139498985

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168811969) is N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5ccc(-c6ccccc6)c3c45)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is MMNJWVNVJXCKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-67(2)59-31-14-11-28-55(59)58-30-18-34-63(65(58)67)69(48-38-35-46(36-39-48)51-25-10-9-24-50(51)44-19-5-3-6-20-44)49-40-42-56-53-26-12-15-32-60(53)68(62(56)43-49)61-33-16-13-27-54(61)57-29-17-23-47-37-41-52(66(68)64(47)57)45-21-7-4-8-22-45/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 878.13 g/mol, XLogP of 17.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168811969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).