13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine

C60H48N2O2 — CID 163458949

IUPAC13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine
SMILESCc1ccccc1N(C1=CC=CCC1C)c1ccc2c(c1)C(C)(C)c1c(ccc3c1oc1ccccc13)N2c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C60H48N2O2/c1-39-18-8-13-25-50(39)62(51-26-14-9-19-40(51)2)44-34-36-52-49(38-44)59(3,4)57-53(37-35-46-45-22-10-15-27-54(45)64-58(46)57)61(52)43-32-30-42(31-33-43)60(41-20-6-5-7-21-41)47-23-11-16-28-55(47)63-56-29-17-12-24-48(56)60/h5-18,20-38,40H,19H2,1-4H3
InChIKeyBMXBNWRWJLGMDE-UHFFFAOYSA-N
MW829.06 g/mol
LogP16.11
Rot. Bonds6

About 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine

13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine (PubChem CID 163458949) has the molecular formula C60H48N2O2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine.

Molecular Properties

Compound Name13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine
PubChem CID163458949
Molecular FormulaC60H48N2O2
Molecular Weight829.06 g/mol
Exact Mass828.37
IUPAC Name13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine
SMILESCc1ccccc1N(C1=CC=CCC1C)c1ccc2c(c1)C(C)(C)c1c(ccc3c1oc1ccccc13)N2c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C60H48N2O2/c1-39-18-8-13-25-50(39)62(51-26-14-9-19-40(51)2)44-34-36-52-49(38-44)59(3,4)57-53(37-35-46-45-22-10-15-27-54(45)64-58(46)57)61(52)43-32-30-42(31-33-43)60(41-20-6-5-7-21-41)47-23-11-16-28-55(47)63-56-29-17-12-24-48(56)60/h5-18,20-38,40H,19H2,1-4H3
InChIKeyBMXBNWRWJLGMDE-UHFFFAOYSA-N
XLogP16.11
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine with MolForge

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Related Compounds

N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273
N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine
CID 146511438
7-dibenzofuran-4-yl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-4-amine;2-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)benzo[c]chromen-6-one;10-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-2,7-diphenylacridine;9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 158163087
10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 165080562
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-amine
CID 170656371
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine
CID 134393002
5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430675
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 158488076
2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 174287675
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine?
The IUPAC name of 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine (CID 163458949) is 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine.
What is the SMILES notation for 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine?
The canonical SMILES for 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine is Cc1ccccc1N(C1=CC=CCC1C)c1ccc2c(c1)C(C)(C)c1c(ccc3c1oc1ccccc13)N2c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine?
The InChIKey is BMXBNWRWJLGMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O2/c1-39-18-8-13-25-50(39)62(51-26-14-9-19-40(51)2)44-34-36-52-49(38-44)59(3,4)57-53(37-35-46-45-22-10-15-27-54(45)64-58(46)57)61(52)43-32-30-42(31-33-43)60(41-20-6-5-7-21-41)47-23-11-16-28-55(47)63-56-29-17-12-24-48(56)60/h5-18,20-38,40H,19H2,1-4H3.
What are the key properties of 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine?
13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine has a molecular weight of 829.06 g/mol, XLogP of 16.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-(2-methylphenyl)-5-[4-(9-phenylxanthen-9-yl)phenyl]-[1]benzofuro[2,3-a]acridin-2-amine is sourced from PubChem (CID 163458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).