N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine

C68H46N2 — CID 134452955

IUPACN,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2cccc4c5ccccc5n(-c5ccccc5)c24)c2ccccc2-3)cc1
InChIInChI=1S/C68H46N2/c1-6-23-47(24-7-1)67(48-25-8-2-9-26-48)60-37-19-16-33-54(60)56-43-41-52(45-63(56)67)69(50-29-12-4-13-30-50)53-42-44-57-55-34-17-20-38-61(55)68(64(57)46-53,49-27-10-3-11-28-49)62-39-22-36-59-58-35-18-21-40-65(58)70(66(59)62)51-31-14-5-15-32-51/h1-46H
InChIKeyCADSVUBTYVYMPE-UHFFFAOYSA-N
MW891.13 g/mol
LogP16.98
Rot. Bonds8

About N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine

N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine (PubChem CID 134452955) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
PubChem CID134452955
Molecular FormulaC68H46N2
Molecular Weight891.13 g/mol
Exact Mass890.37
IUPAC NameN,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2cccc4c5ccccc5n(-c5ccccc5)c24)c2ccccc2-3)cc1
InChIInChI=1S/C68H46N2/c1-6-23-47(24-7-1)67(48-25-8-2-9-26-48)60-37-19-16-33-54(60)56-43-41-52(45-63(56)67)69(50-29-12-4-13-30-50)53-42-44-57-55-34-17-20-38-61(55)68(64(57)46-53,49-27-10-3-11-28-49)62-39-22-36-59-58-35-18-21-40-65(58)70(66(59)62)51-31-14-5-15-32-51/h1-46H
InChIKeyCADSVUBTYVYMPE-UHFFFAOYSA-N
XLogP16.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.13
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine (CID 134452955) is N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2cccc4c5ccccc5n(-c5ccccc5)c24)c2ccccc2-3)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine?
The InChIKey is CADSVUBTYVYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-6-23-47(24-7-1)67(48-25-8-2-9-26-48)60-37-19-16-33-54(60)56-43-41-52(45-63(56)67)69(50-29-12-4-13-30-50)53-42-44-57-55-34-17-20-38-61(55)68(64(57)46-53,49-27-10-3-11-28-49)62-39-22-36-59-58-35-18-21-40-65(58)70(66(59)62)51-31-14-5-15-32-51/h1-46H.
What are the key properties of N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine?
N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine has a molecular weight of 891.13 g/mol, XLogP of 16.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine is sourced from PubChem (CID 134452955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).