2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine

C60H45N — CID 89024085

IUPAC2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5cc6c(c7ccccc57)-c5ccccc5C6(C)C)c4c3)cc21
InChIInChI=1S/C60H45N/c1-59(2)50-28-16-15-27-47(50)58-43-24-12-11-23-42(43)49(37-53(58)59)57-45-26-14-13-25-44(45)56(38-19-7-5-8-20-38)46-33-31-39(35-48(46)57)40-32-34-55-52(36-40)60(3,4)51-29-17-18-30-54(51)61(55)41-21-9-6-10-22-41/h5-37H,1-4H3
InChIKeySDNRPEZTLXDUGW-UHFFFAOYSA-N
MW780.03 g/mol
LogP16.56
Rot. Bonds4

About 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine

2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine (PubChem CID 89024085) has the molecular formula C60H45N and a molecular weight of 780.03 g/mol. Its IUPAC name is 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine.

Molecular Properties

Compound Name2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
PubChem CID89024085
Molecular FormulaC60H45N
Molecular Weight780.03 g/mol
Exact Mass779.36
IUPAC Name2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5cc6c(c7ccccc57)-c5ccccc5C6(C)C)c4c3)cc21
InChIInChI=1S/C60H45N/c1-59(2)50-28-16-15-27-47(50)58-43-24-12-11-23-42(43)49(37-53(58)59)57-45-26-14-13-25-44(45)56(38-19-7-5-8-20-38)46-33-31-39(35-48(46)57)40-32-34-55-52(36-40)60(3,4)51-29-17-18-30-54(51)61(55)41-21-9-6-10-22-41/h5-37H,1-4H3
InChIKeySDNRPEZTLXDUGW-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
CID 89024086
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259
2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
CID 70911908
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458

Frequently Asked Questions

What is the IUPAC name of 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine?
The IUPAC name of 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine (CID 89024085) is 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine.
What is the SMILES notation for 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine?
The canonical SMILES for 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5cc6c(c7ccccc57)-c5ccccc5C6(C)C)c4c3)cc21.
What is the InChIKey of 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine?
The InChIKey is SDNRPEZTLXDUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N/c1-59(2)50-28-16-15-27-47(50)58-43-24-12-11-23-42(43)49(37-53(58)59)57-45-26-14-13-25-44(45)56(38-19-7-5-8-20-38)46-33-31-39(35-48(46)57)40-32-34-55-52(36-40)60(3,4)51-29-17-18-30-54(51)61(55)41-21-9-6-10-22-41/h5-37H,1-4H3.
What are the key properties of 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine?
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine has a molecular weight of 780.03 g/mol, XLogP of 16.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine is sourced from PubChem (CID 89024085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).