N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C105H84N2 — CID 89356006

IUPACN-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C5=CC=C6c7ccc(-c8ccc(-c9cccc(N(c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c9)cc8)cc7C(C)(C)C6C5)cc4)c3)c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C105H84N2/c1-103(2)97-39-21-19-37-91(97)95-55-51-87(67-101(95)103)106(89-61-81(69-25-11-7-12-26-69)57-82(62-89)70-27-13-8-14-28-70)85-35-23-33-77(59-85)73-41-45-75(46-42-73)79-49-53-93-94-54-50-80(66-100(94)105(5,6)99(93)65-79)76-47-43-74(44-48-76)78-34-24-36-86(60-78)107(88-52-56-96-92-38-20-22-40-98(92)104(3,4)102(96)68-88)90-63-83(71-29-15-9-16-30-71)58-84(64-90)72-31-17-10-18-32-72/h7-17,19-31,33-65,67-68,100H,18,32,66H2,1-6H3
InChIKeyCKSMPHPBRRSHNI-UHFFFAOYSA-N
MW1373.84 g/mol
LogP28.75
Rot. Bonds14

About N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 89356006) has the molecular formula C105H84N2 and a molecular weight of 1373.84 g/mol. Its IUPAC name is N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID89356006
Molecular FormulaC105H84N2
Molecular Weight1373.84 g/mol
Exact Mass1372.66
IUPAC NameN-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C5=CC=C6c7ccc(-c8ccc(-c9cccc(N(c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c9)cc8)cc7C(C)(C)C6C5)cc4)c3)c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C105H84N2/c1-103(2)97-39-21-19-37-91(97)95-55-51-87(67-101(95)103)106(89-61-81(69-25-11-7-12-26-69)57-82(62-89)70-27-13-8-14-28-70)85-35-23-33-77(59-85)73-41-45-75(46-42-73)79-49-53-93-94-54-50-80(66-100(94)105(5,6)99(93)65-79)76-47-43-74(44-48-76)78-34-24-36-86(60-78)107(88-52-56-96-92-38-20-22-40-98(92)104(3,4)102(96)68-88)90-63-83(71-29-15-9-16-30-71)58-84(64-90)72-31-17-10-18-32-72/h7-17,19-31,33-65,67-68,100H,18,32,66H2,1-6H3
InChIKeyCKSMPHPBRRSHNI-UHFFFAOYSA-N
XLogP28.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.84
LogP ≤ 528.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156826876
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[3-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132657

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 89356006) is N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C5=CC=C6c7ccc(-c8ccc(-c9cccc(N(c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c%10ccc%11c(c%10)C(C)(C)c%10ccccc%10-%11)c9)cc8)cc7C(C)(C)C6C5)cc4)c3)c3cc(C4=CC=CCC4)cc(-c4ccccc4)c3)cc21.
What is the InChIKey of N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is CKSMPHPBRRSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H84N2/c1-103(2)97-39-21-19-37-91(97)95-55-51-87(67-101(95)103)106(89-61-81(69-25-11-7-12-26-69)57-82(62-89)70-27-13-8-14-28-70)85-35-23-33-77(59-85)73-41-45-75(46-42-73)79-49-53-93-94-54-50-80(66-100(94)105(5,6)99(93)65-79)76-47-43-74(44-48-76)78-34-24-36-86(60-78)107(88-52-56-96-92-38-20-22-40-98(92)104(3,4)102(96)68-88)90-63-83(71-29-15-9-16-30-71)58-84(64-90)72-31-17-10-18-32-72/h7-17,19-31,33-65,67-68,100H,18,32,66H2,1-6H3.
What are the key properties of N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1373.84 g/mol, XLogP of 28.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-N-[3-[4-[7-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-3,5-diphenylanilino)phenyl]phenyl]-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 89356006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).