11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine

C62H46N2 — CID 118145932

IUPAC11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5cc6ccccc6cc54)cc3)cc21
InChIInChI=1S/C62H46N2/c1-61(2)57-30-18-17-29-53(57)54-37-35-51(41-58(54)61)64(49-27-13-6-14-28-49)50-33-31-46(32-34-50)62(45-21-7-3-8-22-45)59-40-44-20-16-15-19-43(44)39-56(59)55-38-36-52(42-60(55)62)63(47-23-9-4-10-24-47)48-25-11-5-12-26-48/h3-42H,1-2H3
InChIKeyZXIYCJPCFGEUBO-UHFFFAOYSA-N
MW819.06 g/mol
LogP16.45
Rot. Bonds8

About 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine

11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine (PubChem CID 118145932) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine.

Molecular Properties

Compound Name11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
PubChem CID118145932
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC Name11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5cc6ccccc6cc54)cc3)cc21
InChIInChI=1S/C62H46N2/c1-61(2)57-30-18-17-29-53(57)54-37-35-51(41-58(54)61)64(49-27-13-6-14-28-49)50-33-31-46(32-34-50)62(45-21-7-3-8-22-45)59-40-44-20-16-15-19-43(44)39-56(59)55-38-36-52(42-60(55)62)63(47-23-9-4-10-24-47)48-25-11-5-12-26-48/h3-42H,1-2H3
InChIKeyZXIYCJPCFGEUBO-UHFFFAOYSA-N
XLogP16.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290189
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine
CID 158615846

Frequently Asked Questions

What is the IUPAC name of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine?
The IUPAC name of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine (CID 118145932) is 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine.
What is the SMILES notation for 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine?
The canonical SMILES for 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5cc6ccccc6cc54)cc3)cc21.
What is the InChIKey of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine?
The InChIKey is ZXIYCJPCFGEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-61(2)57-30-18-17-29-53(57)54-37-35-51(41-58(54)61)64(49-27-13-6-14-28-49)50-33-31-46(32-34-50)62(45-21-7-3-8-22-45)59-40-44-20-16-15-19-43(44)39-56(59)55-38-36-52(42-60(55)62)63(47-23-9-4-10-24-47)48-25-11-5-12-26-48/h3-42H,1-2H3.
What are the key properties of 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine?
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine has a molecular weight of 819.06 g/mol, XLogP of 16.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine is sourced from PubChem (CID 118145932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).