N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine

C107H84N2 — CID 59246566

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C107H84N2/c1-103(2)91-33-21-19-29-79(91)85-51-43-71(61-97(85)103)108(101-59-69-23-11-13-25-75(69)77-27-15-17-31-89(77)101)73-45-53-87-83-49-41-67(57-95(83)106(7,8)99(87)63-73)37-35-65-39-47-81-82-48-40-66(56-94(82)105(5,6)93(81)55-65)36-38-68-42-50-84-88-54-46-74(64-100(88)107(9,10)96(84)58-68)109(102-60-70-24-12-14-26-76(70)78-28-16-18-32-90(78)102)72-44-52-86-80-30-20-22-34-92(80)104(3,4)98(86)62-72/h11-64H,1-10H3/b37-35+,38-36+
InChIKeyWMZGDDOCCULABR-ATXIYDNESA-N
MW1397.86 g/mol
LogP29.11
Rot. Bonds10

About N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine (PubChem CID 59246566) has the molecular formula C107H84N2 and a molecular weight of 1397.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
PubChem CID59246566
Molecular FormulaC107H84N2
Molecular Weight1397.86 g/mol
Exact Mass1396.66
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C107H84N2/c1-103(2)91-33-21-19-29-79(91)85-51-43-71(61-97(85)103)108(101-59-69-23-11-13-25-75(69)77-27-15-17-31-89(77)101)73-45-53-87-83-49-41-67(57-95(83)106(7,8)99(87)63-73)37-35-65-39-47-81-82-48-40-66(56-94(82)105(5,6)93(81)55-65)36-38-68-42-50-84-88-54-46-74(64-100(88)107(9,10)96(84)58-68)109(102-60-70-24-12-14-26-76(70)78-28-16-18-32-90(78)102)72-44-52-86-80-30-20-22-34-92(80)104(3,4)98(86)62-72/h11-64H,1-10H3/b37-35+,38-36+
InChIKeyWMZGDDOCCULABR-ATXIYDNESA-N
XLogP29.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.86
LogP ≤ 529.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine with MolForge

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Related Compounds

N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 59246131
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246329
9,9-dimethyl-2-N,7-N-di(phenanthren-9-yl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883905
N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246384
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-N-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 134464828
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine (CID 59246566) is N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)ccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine?
The InChIKey is WMZGDDOCCULABR-ATXIYDNESA-N. The full InChI is InChI=1S/C107H84N2/c1-103(2)91-33-21-19-29-79(91)85-51-43-71(61-97(85)103)108(101-59-69-23-11-13-25-75(69)77-27-15-17-31-89(77)101)73-45-53-87-83-49-41-67(57-95(83)106(7,8)99(87)63-73)37-35-65-39-47-81-82-48-40-66(56-94(82)105(5,6)93(81)55-65)36-38-68-42-50-84-88-54-46-74(64-100(88)107(9,10)96(84)58-68)109(102-60-70-24-12-14-26-76(70)78-28-16-18-32-90(78)102)72-44-52-86-80-30-20-22-34-92(80)104(3,4)98(86)62-72/h11-64H,1-10H3/b37-35+,38-36+.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine has a molecular weight of 1397.86 g/mol, XLogP of 29.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine is sourced from PubChem (CID 59246566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).