10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole

C112H71Cl12N5O2 — CID 161240464

IUPAC10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole
SMILESCc1cc(Cl)c(C(c2c(Cl)cncc2Cl)c2c(Cl)cc(N3c4ccccc4C(C)(C)c4ccccc43)cc2Cl)c(Cl)c1.Cc1cc(Cl)c(C(c2c(Cl)cncc2Cl)c2c(Cl)cc(N3c4ccccc4Oc4ccccc43)cc2Cl)c(Cl)c1.c1ccc2c(c1)C(=C(c1ccc(-n3c4ccccc4c4oc5ccccc5c43)cc1)C1c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C47H29NO.C34H24Cl6N2.C31H18Cl6N2O/c1-5-17-35-31(13-1)32-14-2-6-18-36(32)44(35)43(45-37-19-7-3-15-33(37)34-16-4-8-20-38(34)45)29-25-27-30(28-26-29)48-41-23-11-9-21-39(41)47-46(48)40-22-10-12-24-42(40)49-47;1-18-12-22(35)30(23(36)13-18)33(32-26(39)16-41-17-27(32)40)31-24(37)14-19(15-25(31)38)42-28-10-6-4-8-20(28)34(2,3)21-9-5-7-11-29(21)42;1-16-10-18(32)28(19(33)11-16)31(30-22(36)14-38-15-23(30)37)29-20(34)12-17(13-21(29)35)39-24-6-2-4-8-26(24)40-27-9-5-3-7-25(27)39/h1-28,44H;4-17,33H,1-3H3;2-15,31H,1H3
InChIKeyUZXVIJLRYUOYAY-UHFFFAOYSA-N
MW1944.27 g/mol
LogP36.95
Rot. Bonds11

About 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole

10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 161240464) has the molecular formula C112H71Cl12N5O2 and a molecular weight of 1944.27 g/mol. Its IUPAC name is 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID161240464
Molecular FormulaC112H71Cl12N5O2
Molecular Weight1944.27 g/mol
Exact Mass1937.19
IUPAC Name10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole
SMILESCc1cc(Cl)c(C(c2c(Cl)cncc2Cl)c2c(Cl)cc(N3c4ccccc4C(C)(C)c4ccccc43)cc2Cl)c(Cl)c1.Cc1cc(Cl)c(C(c2c(Cl)cncc2Cl)c2c(Cl)cc(N3c4ccccc4Oc4ccccc43)cc2Cl)c(Cl)c1.c1ccc2c(c1)C(=C(c1ccc(-n3c4ccccc4c4oc5ccccc5c43)cc1)C1c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C47H29NO.C34H24Cl6N2.C31H18Cl6N2O/c1-5-17-35-31(13-1)32-14-2-6-18-36(32)44(35)43(45-37-19-7-3-15-33(37)34-16-4-8-20-38(34)45)29-25-27-30(28-26-29)48-41-23-11-9-21-39(41)47-46(48)40-22-10-12-24-42(40)49-47;1-18-12-22(35)30(23(36)13-18)33(32-26(39)16-41-17-27(32)40)31-24(37)14-19(15-25(31)38)42-28-10-6-4-8-20(28)34(2,3)21-9-5-7-11-29(21)42;1-16-10-18(32)28(19(33)11-16)31(30-22(36)14-38-15-23(30)37)29-20(34)12-17(13-21(29)35)39-24-6-2-4-8-26(24)40-27-9-5-3-7-25(27)39/h1-28,44H;4-17,33H,1-3H3;2-15,31H,1H3
InChIKeyUZXVIJLRYUOYAY-UHFFFAOYSA-N
XLogP36.95
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001944.27
LogP ≤ 536.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole with MolForge

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Related Compounds

10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine
CID 160605107
5-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]benzimidazolo[1,2-a]benzimidazole;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-9,9-dimethylacridine;11-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]indolo[2,1-b][1,3]benzoxazole;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]phenoxazine
CID 162168320
CID 166569786
CID 166569786
2-[(1Z)-buta-1,3-dienyl]-4-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-3-methyl-1,4-benzoxazine
CID 167289798
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 159018235
10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
CID 155120100
9,9-dimethyl-10-[3-(20-oxa-9-thiapentacyclo[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]acridine;9-[4-(20-oxa-9-thiapentacyclo[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]-3,6-diphenylcarbazole;10-[3-(20-oxa-9-thiapentacyclo[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]phenothiazine;10-[3-(20-oxa-9-thiapentacyclo[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
CID 164954667
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
9-[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]carbazole;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]-9,9-dimethylacridine;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]phenothiazine
CID 164975433
7-[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169056
2',7'-bis(9,9-dimethylacridin-10-yl)-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine];2',7'-di(carbazol-9-yl)-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine];2'-(9,9-dimethylacridin-10-yl)-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine];10-(7'-phenoxazin-10-yl-10'-phenylspiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-yl)phenoxazine
CID 160667766
20-tert-butyl-23-(3-tert-butylphenyl)-26-methyl-N,N,9-triphenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaen-12-amine;26-methyl-N,N-diphenyl-9,23-dioxa-1-aza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17,19,21,24,26,28(30)-tridecaen-12-amine;9,9,26-trimethyl-N,N-diphenyl-23-oxa-1-aza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17,19,21,24,26,28(30)-tridecaen-12-amine
CID 165003441

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole (CID 161240464) is 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole is Cc1cc(Cl)c(C(c2c(Cl)cncc2Cl)c2c(Cl)cc(N3c4ccccc4C(C)(C)c4ccccc43)cc2Cl)c(Cl)c1.Cc1cc(Cl)c(C(c2c(Cl)cncc2Cl)c2c(Cl)cc(N3c4ccccc4Oc4ccccc43)cc2Cl)c(Cl)c1.c1ccc2c(c1)C(=C(c1ccc(-n3c4ccccc4c4oc5ccccc5c43)cc1)C1c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is UZXVIJLRYUOYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO.C34H24Cl6N2.C31H18Cl6N2O/c1-5-17-35-31(13-1)32-14-2-6-18-36(32)44(35)43(45-37-19-7-3-15-33(37)34-16-4-8-20-38(34)45)29-25-27-30(28-26-29)48-41-23-11-9-21-39(41)47-46(48)40-22-10-12-24-42(40)49-47;1-18-12-22(35)30(23(36)13-18)33(32-26(39)16-41-17-27(32)40)31-24(37)14-19(15-25(31)38)42-28-10-6-4-8-20(28)34(2,3)21-9-5-7-11-29(21)42;1-16-10-18(32)28(19(33)11-16)31(30-22(36)14-38-15-23(30)37)29-20(34)12-17(13-21(29)35)39-24-6-2-4-8-26(24)40-27-9-5-3-7-25(27)39/h1-28,44H;4-17,33H,1-3H3;2-15,31H,1H3.
What are the key properties of 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole?
10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole has a molecular weight of 1944.27 g/mol, XLogP of 36.95, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]-9,9-dimethylacridine;10-[3,5-dichloro-4-[(2,6-dichloro-4-methylphenyl)-(3,5-dichloro-4-pyridinyl)methyl]phenyl]phenoxazine;10-[4-[9H-fluoren-9-yl(fluoren-9-ylidene)methyl]phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 161240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).