2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine

C101H72N2 — CID 170513489

IUPAC2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILES[2H]C1=C([2H])C([2H])C([2H])C(C2(Cc3ccc(C=C)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(Cc6ccc(C=C)cc6)(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc6-7)c6cccc7ccccc67)cc54)c4cccc5ccccc45)cc32)=C1[2H]
InChIInChI=1S/C101H72N2/c1-3-67-45-49-69(50-46-67)65-99(73-29-7-5-8-30-73)89-39-19-15-35-81(89)85-57-53-75(61-93(85)99)102(97-43-23-27-71-25-11-13-33-79(71)97)77-55-59-87-83-37-17-21-41-91(83)101(95(87)63-77)92-42-22-18-38-84(92)88-60-56-78(64-96(88)101)103(98-44-24-28-72-26-12-14-34-80(72)98)76-54-58-86-82-36-16-20-40-90(82)100(94(86)62-76,74-31-9-6-10-32-74)66-70-51-47-68(4-2)48-52-70/h3-9,11-31,33-64H,1-2,10,32,65-66H2/i5D,6D,7D,8D,9D,10D,29D,30D,31D,32D
InChIKeyNRYOCSIJDNXLAE-KGMQEELDSA-N
MW1323.76 g/mol
LogP25.91
Rot. Bonds14

About 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine

2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 170513489) has the molecular formula C101H72N2 and a molecular weight of 1323.76 g/mol. Its IUPAC name is 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID170513489
Molecular FormulaC101H72N2
Molecular Weight1323.76 g/mol
Exact Mass1322.63
IUPAC Name2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILES[2H]C1=C([2H])C([2H])C([2H])C(C2(Cc3ccc(C=C)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(Cc6ccc(C=C)cc6)(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc6-7)c6cccc7ccccc67)cc54)c4cccc5ccccc45)cc32)=C1[2H]
InChIInChI=1S/C101H72N2/c1-3-67-45-49-69(50-46-67)65-99(73-29-7-5-8-30-73)89-39-19-15-35-81(89)85-57-53-75(61-93(85)99)102(97-43-23-27-71-25-11-13-33-79(71)97)77-55-59-87-83-37-17-21-41-91(83)101(95(87)63-77)92-42-22-18-38-84(92)88-60-56-78(64-96(88)101)103(98-44-24-28-72-26-12-14-34-80(72)98)76-54-58-86-82-36-16-20-40-90(82)100(94(86)62-76,74-31-9-6-10-32-74)66-70-51-47-68(4-2)48-52-70/h3-9,11-31,33-64H,1-2,10,32,65-66H2/i5D,6D,7D,8D,9D,10D,29D,30D,31D,32D
InChIKeyNRYOCSIJDNXLAE-KGMQEELDSA-N
XLogP25.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001323.76
LogP ≤ 525.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

9-[(4-ethenylphenyl)methyl]-N-[4-[4-[4-[[9-[(4-ethenylphenyl)methyl]-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 146516715
2-N,2-N'-bis[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine;9-(4-tert-butylphenyl)-N-[4-[4-[[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-naphthalen-1-ylamino]naphthalen-1-yl]naphthalen-1-yl]-9-[(4-ethenylphenyl)methyl]-N-naphthalen-1-ylfluoren-2-amine;9-(4-tert-butylphenyl)-N-[4-[4-[[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-naphthalen-1-ylfluoren-2-amine
CID 161297701
9-(4-tert-butylphenyl)-N-[4-[4-[[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-naphthalen-1-ylfluoren-2-amine
CID 146516645
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
9-(2,4-dimethylphenyl)-N-[4-[4-[4-[[9-(2,4-dimethylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-naphthalen-1-ylfluoren-2-amine
CID 146516604
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
9-[(4-ethenylphenyl)methyl]-N-[4-[4-(N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-2-amine;9-[(4-ethenylphenyl)methyl]-N-[4-[4-(N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-4-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]-9-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)fluoren-2-amine;9-[(4-ethenylphenyl)methyl]-N-[4-[4-(N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)fluoren-2-amine;2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-2-N-[9-[(4-ethenylphenyl)-(2,3,4,5,6-pentafluorophenyl)methyl]-9H-fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 162247651
2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine;9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]anilino)naphthalen-1-yl]naphthalen-1-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-2-amine;9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenylfluoren-2-amine
CID 162015993
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine;2-N,7-N-bis[9-[(4-ethenylphenyl)methyl]-9-phenylfluoren-2-yl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9-[(4-ethenylphenyl)methyl]-N-[4-[4-[4-[[9-[(4-ethenylphenyl)methyl]-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 157365398
9-[(4-ethenylphenyl)methyl]-N-[4-[4-(N-[9-[(4-ethenylphenyl)methyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)naphthalen-1-yl]naphthalen-1-yl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine
CID 146516551
2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 153313800
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417

Frequently Asked Questions

What is the IUPAC name of 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 170513489) is 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine is [2H]C1=C([2H])C([2H])C([2H])C(C2(Cc3ccc(C=C)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(Cc6ccc(C=C)cc6)(c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc6-7)c6cccc7ccccc67)cc54)c4cccc5ccccc45)cc32)=C1[2H].
What is the InChIKey of 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is NRYOCSIJDNXLAE-KGMQEELDSA-N. The full InChI is InChI=1S/C101H72N2/c1-3-67-45-49-69(50-46-67)65-99(73-29-7-5-8-30-73)89-39-19-15-35-81(89)85-57-53-75(61-93(85)99)102(97-43-23-27-71-25-11-13-33-79(71)97)77-55-59-87-83-37-17-21-41-91(83)101(95(87)63-77)92-42-22-18-38-84(92)88-60-56-78(64-96(88)101)103(98-44-24-28-72-26-12-14-34-80(72)98)76-54-58-86-82-36-16-20-40-90(82)100(94(86)62-76,74-31-9-6-10-32-74)66-70-51-47-68(4-2)48-52-70/h3-9,11-31,33-64H,1-2,10,32,65-66H2/i5D,6D,7D,8D,9D,10D,29D,30D,31D,32D.
What are the key properties of 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1323.76 g/mol, XLogP of 25.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriocyclohexa-1,3-dien-1-yl)fluoren-2-yl]-2-N'-[9-[(4-ethenylphenyl)methyl]-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-dinaphthalen-1-yl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 170513489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).