2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine

C61H43N3 — CID 118204439

IUPAC2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C(c2ccccc2)(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H43N3/c1-7-23-44(24-8-1)61(45-39-40-58-54(41-45)52-35-20-22-38-57(52)64(58)50-33-17-6-18-34-50)55-37-21-19-36-53(55)60-56(61)42-51(62(46-25-9-2-10-26-46)47-27-11-3-12-28-47)43-59(60)63(48-29-13-4-14-30-48)49-31-15-5-16-32-49/h1-43H
InChIKeySYSRTRBCIBWLJC-UHFFFAOYSA-N
MW818.04 g/mol
LogP16.09
Rot. Bonds9

About 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine

2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine (PubChem CID 118204439) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine
PubChem CID118204439
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C(c2ccccc2)(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H43N3/c1-7-23-44(24-8-1)61(45-39-40-58-54(41-45)52-35-20-22-38-57(52)64(58)50-33-17-6-18-34-50)55-37-21-19-36-53(55)60-56(61)42-51(62(46-25-9-2-10-26-46)47-27-11-3-12-28-47)43-59(60)63(48-29-13-4-14-30-48)49-31-15-5-16-32-49/h1-43H
InChIKeySYSRTRBCIBWLJC-UHFFFAOYSA-N
XLogP16.09
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine
CID 118204417
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9,9-dimethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)-7-trimethylsilylfluorene-2,4-diamine;9-N,9-N,11-N,11-N,7,7-hexakis-phenylbenzo[g]fluorene-9,11-diamine;2-N,4-N,4-N,9-tetraphenyl-9-(9-phenylcarbazol-3-yl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine
CID 159975632
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
CID 118004667
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
CID 167334144
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine (CID 118204439) is 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)C(c2ccccc2)(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine?
The InChIKey is SYSRTRBCIBWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-7-23-44(24-8-1)61(45-39-40-58-54(41-45)52-35-20-22-38-57(52)64(58)50-33-17-6-18-34-50)55-37-21-19-36-53(55)60-56(61)42-51(62(46-25-9-2-10-26-46)47-27-11-3-12-28-47)43-59(60)63(48-29-13-4-14-30-48)49-31-15-5-16-32-49/h1-43H.
What are the key properties of 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine?
2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine has a molecular weight of 818.04 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine is sourced from PubChem (CID 118204439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).