N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C66H47N — CID 142515477

IUPACN-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(cc3-c3cc5ccccc5c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C66H47N/c1-65(2)60-32-18-16-30-54(60)56-39-38-50(41-62(56)65)67(49-36-34-45(35-37-49)44-20-6-3-7-21-44)64-43-63-58(42-59(64)57-40-46-22-12-13-27-51(46)52-28-14-15-29-53(52)57)55-31-17-19-33-61(55)66(63,47-23-8-4-9-24-47)48-25-10-5-11-26-48/h3-43H,1-2H3
InChIKeySBJSSLBQQYZMGL-UHFFFAOYSA-N
MW854.11 g/mol
LogP17.47
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 142515477) has the molecular formula C66H47N and a molecular weight of 854.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID142515477
Molecular FormulaC66H47N
Molecular Weight854.11 g/mol
Exact Mass853.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(cc3-c3cc5ccccc5c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C66H47N/c1-65(2)60-32-18-16-30-54(60)56-39-38-50(41-62(56)65)67(49-36-34-45(35-37-49)44-20-6-3-7-21-44)64-43-63-58(42-59(64)57-40-46-22-12-13-27-51(46)52-28-14-15-29-53(52)57)55-31-17-19-33-61(55)66(63,47-23-8-4-9-24-47)48-25-10-5-11-26-48/h3-43H,1-2H3
InChIKeySBJSSLBQQYZMGL-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
3-N-(9,9-dimethylfluoren-3-yl)-1-N-(10,10-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052273
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
9,9-dimethyl-N-(2-phenanthren-9-yl-5-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 174306082
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 142515477) is N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(cc3-c3cc5ccccc5c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is SBJSSLBQQYZMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N/c1-65(2)60-32-18-16-30-54(60)56-39-38-50(41-62(56)65)67(49-36-34-45(35-37-49)44-20-6-3-7-21-44)64-43-63-58(42-59(64)57-40-46-22-12-13-27-51(46)52-28-14-15-29-53(52)57)55-31-17-19-33-61(55)66(63,47-23-8-4-9-24-47)48-25-10-5-11-26-48/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 854.11 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142515477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).