N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine

C57H41N — CID 145144939

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine
SMILESCc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c(ccc4c3)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H41N/c1-36-20-22-37(23-21-36)38-24-27-40(28-25-38)58(42-30-33-48-44-12-4-8-16-50(44)56(2,3)54(48)35-42)41-29-32-43-39(34-41)26-31-49-47-15-7-11-19-53(47)57(55(43)49)51-17-9-5-13-45(51)46-14-6-10-18-52(46)57/h4-35H,1-3H3
InChIKeyDNVBAHPMWMDPTR-UHFFFAOYSA-N
MW739.96 g/mol
LogP14.93
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine (PubChem CID 145144939) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine
PubChem CID145144939
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine
SMILESCc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c(ccc4c3)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H41N/c1-36-20-22-37(23-21-36)38-24-27-40(28-25-38)58(42-30-33-48-44-12-4-8-16-50(44)56(2,3)54(48)35-42)41-29-32-43-39(34-41)26-31-49-47-15-7-11-19-53(47)57(55(43)49)51-17-9-5-13-45(51)46-14-6-10-18-52(46)57/h4-35H,1-3H3
InChIKeyDNVBAHPMWMDPTR-UHFFFAOYSA-N
XLogP14.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine
CID 137493209
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-(11,11-dimethylbenzo[a]fluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine;N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
CID 159039363
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;11,11-dimethyl-N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-8-amine;11,11-dimethyl-N,N-diphenyl-8-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-2-amine
CID 163735962
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2',7'-dimethyl-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421373

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine (CID 145144939) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine is Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c5c(ccc4c3)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine?
The InChIKey is DNVBAHPMWMDPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-36-20-22-37(23-21-36)38-24-27-40(28-25-38)58(42-30-33-48-44-12-4-8-16-50(44)56(2,3)54(48)35-42)41-29-32-43-39(34-41)26-31-49-47-15-7-11-19-53(47)57(55(43)49)51-17-9-5-13-45(51)46-14-6-10-18-52(46)57/h4-35H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine has a molecular weight of 739.96 g/mol, XLogP of 14.93, 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-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine is sourced from PubChem (CID 145144939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).