9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C59H45N — CID 166881122

IUPAC9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4Cc4ccccc4-c4ccccc4C5)cc3)cc21
InChIInChI=1S/C59H45N/c1-59(2)56-26-13-12-24-54(56)55-36-35-49(39-57(55)59)60(47-31-27-41(28-32-47)40-15-4-3-5-16-40)48-33-29-42(30-34-48)52-25-14-20-46-38-44-18-7-10-22-51(44)50-21-9-6-17-43(50)37-45-19-8-11-23-53(45)58(46)52/h3-36,39H,37-38H2,1-2H3
InChIKeyXYLZOVRQYGWMRN-UHFFFAOYSA-N
MW768.02 g/mol
LogP15.63
Rot. Bonds5

About 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166881122) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166881122
Molecular FormulaC59H45N
Molecular Weight768.02 g/mol
Exact Mass767.36
IUPAC Name9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4Cc4ccccc4-c4ccccc4C5)cc3)cc21
InChIInChI=1S/C59H45N/c1-59(2)56-26-13-12-24-54(56)55-36-35-49(39-57(55)59)60(47-31-27-41(28-32-47)40-15-4-3-5-16-40)48-33-29-42(30-34-48)52-25-14-20-46-38-44-18-7-10-22-51(44)50-21-9-6-17-43(50)37-45-19-8-11-23-53(45)58(46)52/h3-36,39H,37-38H2,1-2H3
InChIKeyXYLZOVRQYGWMRN-UHFFFAOYSA-N
XLogP15.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176598288
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286731
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 166881122) is 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4Cc4ccccc4-c4ccccc4C5)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XYLZOVRQYGWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-59(2)56-26-13-12-24-54(56)55-36-35-49(39-57(55)59)60(47-31-27-41(28-32-47)40-15-4-3-5-16-40)48-33-29-42(30-34-48)52-25-14-20-46-38-44-18-7-10-22-51(44)50-21-9-6-17-43(50)37-45-19-8-11-23-53(45)58(46)52/h3-36,39H,37-38H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 768.02 g/mol, XLogP of 15.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166881122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).