10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine

C69H42N2 — CID 163891516

IUPAC10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(-n4c5ccccc5c5ccccc54)ccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1
InChIInChI=1S/C69H42N2/c1-2-15-44-38-47(31-30-42(44)14-1)67-58-34-32-48(70-62-26-7-3-16-45(62)39-46-17-4-8-27-63(46)70)41-61(58)69(59-35-33-49(40-60(59)67)71-64-28-9-5-20-50(64)51-21-6-10-29-65(51)71)57-37-36-56-53-23-12-19-43-18-11-22-52(66(43)53)54-24-13-25-55(57)68(54)56/h1-38,40-41H,39H2
InChIKeyQBYAFJYAHBBVON-UHFFFAOYSA-N
MW899.11 g/mol
LogP19.00
Rot. Bonds4

About 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine

10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine (PubChem CID 163891516) has the molecular formula C69H42N2 and a molecular weight of 899.11 g/mol. Its IUPAC name is 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine.

Molecular Properties

Compound Name10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine
PubChem CID163891516
Molecular FormulaC69H42N2
Molecular Weight899.11 g/mol
Exact Mass898.33
IUPAC Name10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(-n4c5ccccc5c5ccccc54)ccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1
InChIInChI=1S/C69H42N2/c1-2-15-44-38-47(31-30-42(44)14-1)67-58-34-32-48(70-62-26-7-3-16-45(62)39-46-17-4-8-27-63(46)70)41-61(58)69(59-35-33-49(40-60(59)67)71-64-28-9-5-20-50(64)51-21-6-10-29-65(51)71)57-37-36-56-53-23-12-19-43-18-11-22-52(66(43)53)54-24-13-25-55(57)68(54)56/h1-38,40-41H,39H2
InChIKeyQBYAFJYAHBBVON-UHFFFAOYSA-N
XLogP19.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.11
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
10-[7-(9H-acridin-10-yl)-10-naphthalen-2-yl-9-phenylanthracen-2-yl]-9H-acridine
CID 59220201
10-[7-(9H-acridin-10-yl)-10-(9-methylidenefluoren-2-yl)-9-naphthalen-2-ylanthracen-2-yl]-9H-acridine
CID 89090746
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
CID 59220915
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
11-(6-benzo[b][1]benzazepin-11-yl-9,10-dinaphthalen-1-ylanthracen-2-yl)benzo[b][1]benzazepine;11-[6-benzo[b][1]benzazepin-11-yl-9-phenyl-10-(4-phenylphenyl)anthracen-2-yl]benzo[b][1]benzazepine;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole;9,10-dinaphthalen-2-yl-N,N-diphenylanthracen-2-amine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine;N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine
CID 159427640
10-naphthalen-1-yl-2-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine;2-naphthalen-2-yl-10-phenyl-7-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine;10-naphthalen-1-yl-2-phenyl-7-[4-(3-phenylcarbazol-9-yl)phenyl]-9H-acridine
CID 159385885
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220622
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991

Frequently Asked Questions

What is the IUPAC name of 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine?
The IUPAC name of 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine (CID 163891516) is 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine.
What is the SMILES notation for 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine?
The canonical SMILES for 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine is c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(-n4c5ccccc5c5ccccc54)ccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1.
What is the InChIKey of 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine?
The InChIKey is QBYAFJYAHBBVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N2/c1-2-15-44-38-47(31-30-42(44)14-1)67-58-34-32-48(70-62-26-7-3-16-45(62)39-46-17-4-8-27-63(46)70)41-61(58)69(59-35-33-49(40-60(59)67)71-64-28-9-5-20-50(64)51-21-6-10-29-65(51)71)57-37-36-56-53-23-12-19-43-18-11-22-52(66(43)53)54-24-13-25-55(57)68(54)56/h1-38,40-41H,39H2.
What are the key properties of 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine?
10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine has a molecular weight of 899.11 g/mol, XLogP of 19.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-carbazol-9-yl-10-naphthalen-2-yl-9-perylen-3-ylanthracen-2-yl)-9H-acridine is sourced from PubChem (CID 163891516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).