N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine

C93H70N2O — CID 174036683

IUPACN-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4C4(c6ccccc6Oc6c(-c7ccc(N(C8=CCCC9=C(C=C8)c8ccccc8C9)/C8=C/C=C\C=CC(c9ccccc9)C8)cc7)cccc64)c4ccccc4-5)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C93H70N2O/c1-92(2)83-41-17-14-36-79(83)81-58-56-73(61-87(81)92)95(88-45-20-16-35-76(88)63-27-8-4-9-28-63)71-53-47-64(48-54-71)77-38-23-40-82-80-37-15-18-42-84(80)93(90(77)82)85-43-19-21-46-89(85)96-91-78(39-24-44-86(91)93)65-49-51-70(52-50-65)94(72-32-11-5-10-29-66(60-72)62-25-6-3-7-26-62)69-33-22-31-68-59-67-30-12-13-34-74(67)75(68)57-55-69/h3-21,23-30,32-58,61,66H,22,31,59-60H2,1-2H3/b11-5-,29-10?,57-55?,69-33?,72-32+
InChIKeyKMWAYHDJODANKW-NTSPYJROSA-N
MW1231.60 g/mol
LogP24.17
Rot. Bonds10

About N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine

N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine (PubChem CID 174036683) has the molecular formula C93H70N2O and a molecular weight of 1231.60 g/mol. Its IUPAC name is N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine.

Molecular Properties

Compound NameN-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine
PubChem CID174036683
Molecular FormulaC93H70N2O
Molecular Weight1231.60 g/mol
Exact Mass1230.55
IUPAC NameN-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4C4(c6ccccc6Oc6c(-c7ccc(N(C8=CCCC9=C(C=C8)c8ccccc8C9)/C8=C/C=C\C=CC(c9ccccc9)C8)cc7)cccc64)c4ccccc4-5)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C93H70N2O/c1-92(2)83-41-17-14-36-79(83)81-58-56-73(61-87(81)92)95(88-45-20-16-35-76(88)63-27-8-4-9-28-63)71-53-47-64(48-54-71)77-38-23-40-82-80-37-15-18-42-84(80)93(90(77)82)85-43-19-21-46-89(85)96-91-78(39-24-44-86(91)93)65-49-51-70(52-50-65)94(72-32-11-5-10-29-66(60-72)62-25-6-3-7-26-62)69-33-22-31-68-59-67-30-12-13-34-74(67)75(68)57-55-69/h3-21,23-30,32-58,61,66H,22,31,59-60H2,1-2H3/b11-5-,29-10?,57-55?,69-33?,72-32+
InChIKeyKMWAYHDJODANKW-NTSPYJROSA-N
XLogP24.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.60
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-[4-[4-(4-phenyl-N-(5-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]fluoren-2-amine
CID 144519798
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 146333571
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
CID 146333663
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
CID 167177854
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)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-phenyl-5-(9,9'-spirobi[fluorene]-1-yl)phenyl]fluoren-2-amine
CID 130379433
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine?
The IUPAC name of N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine (CID 174036683) is N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine.
What is the SMILES notation for N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine?
The canonical SMILES for N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4C4(c6ccccc6Oc6c(-c7ccc(N(C8=CCCC9=C(C=C8)c8ccccc8C9)/C8=C/C=C\C=CC(c9ccccc9)C8)cc7)cccc64)c4ccccc4-5)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine?
The InChIKey is KMWAYHDJODANKW-NTSPYJROSA-N. The full InChI is InChI=1S/C93H70N2O/c1-92(2)83-41-17-14-36-79(83)81-58-56-73(61-87(81)92)95(88-45-20-16-35-76(88)63-27-8-4-9-28-63)71-53-47-64(48-54-71)77-38-23-40-82-80-37-15-18-42-84(80)93(90(77)82)85-43-19-21-46-89(85)96-91-78(39-24-44-86(91)93)65-49-51-70(52-50-65)94(72-32-11-5-10-29-66(60-72)62-25-6-3-7-26-62)69-33-22-31-68-59-67-30-12-13-34-74(67)75(68)57-55-69/h3-21,23-30,32-58,61,66H,22,31,59-60H2,1-2H3/b11-5-,29-10?,57-55?,69-33?,72-32+.
What are the key properties of N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine?
N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine has a molecular weight of 1231.60 g/mol, XLogP of 24.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine is sourced from PubChem (CID 174036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).