9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine

C61H41N3 — CID 146511276

IUPAC9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C61H41N3/c1-4-18-44(19-5-1)61(45-35-39-58-52(41-45)50-25-11-15-29-56(50)63(58)47-22-8-3-9-23-47)53-26-12-16-30-59(53)64(60-31-17-13-27-54(60)61)48-36-32-42(33-37-48)43-34-38-57-51(40-43)49-24-10-14-28-55(49)62(57)46-20-6-2-7-21-46/h1-41H
InChIKeySIRXVLOEKLZSNN-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.71
Rot. Bonds6

About 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine

9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine (PubChem CID 146511276) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine.

Molecular Properties

Compound Name9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
PubChem CID146511276
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC Name9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C61H41N3/c1-4-18-44(19-5-1)61(45-35-39-58-52(41-45)50-25-11-15-29-56(50)63(58)47-22-8-3-9-23-47)53-26-12-16-30-59(53)64(60-31-17-13-27-54(60)61)48-36-32-42(33-37-48)43-34-38-57-51(40-43)49-24-10-14-28-55(49)62(57)46-20-6-2-7-21-46/h1-41H
InChIKeySIRXVLOEKLZSNN-UHFFFAOYSA-N
XLogP15.71
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine?
The IUPAC name of 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine (CID 146511276) is 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine.
What is the SMILES notation for 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine?
The canonical SMILES for 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine?
The InChIKey is SIRXVLOEKLZSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-4-18-44(19-5-1)61(45-35-39-58-52(41-45)50-25-11-15-29-56(50)63(58)47-22-8-3-9-23-47)53-26-12-16-30-59(53)64(60-31-17-13-27-54(60)61)48-36-32-42(33-37-48)43-34-38-57-51(40-43)49-24-10-14-28-55(49)62(57)46-20-6-2-7-21-46/h1-41H.
What are the key properties of 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine?
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine has a molecular weight of 816.02 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine is sourced from PubChem (CID 146511276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).