N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C86H57N3 — CID 89069320

IUPACN-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7)cc6c5c4)cc3)cc21
InChIInChI=1S/C86H57N3/c1-3-19-59(20-4-1)88(63-45-47-71-69-27-11-17-33-79(69)85(81(71)53-63)75-29-13-7-23-65(75)66-24-8-14-30-76(66)85)61-41-35-55(36-42-61)57-39-49-83-73(51-57)74-52-58(40-50-84(74)87-83)56-37-43-62(44-38-56)89(60-21-5-2-6-22-60)64-46-48-72-70-28-12-18-34-80(70)86(82(72)54-64)77-31-15-9-25-67(77)68-26-10-16-32-78(68)86/h1-9,11-25,27-54,87H,10,26H2
InChIKeyARLXNORCFPTWIH-UHFFFAOYSA-N
MW1132.42 g/mol
LogP22.37
Rot. Bonds8

About N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 89069320) has the molecular formula C86H57N3 and a molecular weight of 1132.42 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID89069320
Molecular FormulaC86H57N3
Molecular Weight1132.42 g/mol
Exact Mass1131.46
IUPAC NameN-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7)cc6c5c4)cc3)cc21
InChIInChI=1S/C86H57N3/c1-3-19-59(20-4-1)88(63-45-47-71-69-27-11-17-33-79(69)85(81(71)53-63)75-29-13-7-23-65(75)66-24-8-14-30-76(66)85)61-41-35-55(36-42-61)57-39-49-83-73(51-57)74-52-58(40-50-84(74)87-83)56-37-43-62(44-38-56)89(60-21-5-2-6-22-60)64-46-48-72-70-28-12-18-34-80(70)86(82(72)54-64)77-31-15-9-25-67(77)68-26-10-16-32-78(68)86/h1-9,11-25,27-54,87H,10,26H2
InChIKeyARLXNORCFPTWIH-UHFFFAOYSA-N
XLogP22.37
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.42
LogP ≤ 522.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 59306973
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 89069320) is N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7)cc6c5c4)cc3)cc21.
What is the InChIKey of N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ARLXNORCFPTWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H57N3/c1-3-19-59(20-4-1)88(63-45-47-71-69-27-11-17-33-79(69)85(81(71)53-63)75-29-13-7-23-65(75)66-24-8-14-30-76(66)85)61-41-35-55(36-42-61)57-39-49-83-73(51-57)74-52-58(40-50-84(74)87-83)56-37-43-62(44-38-56)89(60-21-5-2-6-22-60)64-46-48-72-70-28-12-18-34-80(70)86(82(72)54-64)77-31-15-9-25-67(77)68-26-10-16-32-78(68)86/h1-9,11-25,27-54,87H,10,26H2.
What are the key properties of N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1132.42 g/mol, XLogP of 22.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 89069320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).