7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine

C87H56N2O2 — CID 137493502

IUPAC7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
SMILESCc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3ccc4cc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8C)cccc67)ccc4c3C53c4ccccc4-c4c3ccc3ccccc43)cccc12
InChIInChI=1S/C87H56N2O2/c1-53-21-9-12-28-62(53)69-32-17-34-71-73-36-19-39-78(85(73)90-83(69)71)88(58-24-5-3-6-25-58)60-44-48-65-56(51-60)41-46-67-68-47-42-57-52-61(45-49-66(57)82(68)87(81(65)67)76-38-16-15-31-75(76)80-64-30-14-11-23-55(64)43-50-77(80)87)89(59-26-7-4-8-27-59)79-40-20-37-74-72-35-18-33-70(84(72)91-86(74)79)63-29-13-10-22-54(63)2/h3-52H,1-2H3
InChIKeyCJDUIKQDXMPWKQ-UHFFFAOYSA-N
MW1161.42 g/mol
LogP24.18
Rot. Bonds8

About 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine

7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine (PubChem CID 137493502) has the molecular formula C87H56N2O2 and a molecular weight of 1161.42 g/mol. Its IUPAC name is 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine.

Molecular Properties

Compound Name7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
PubChem CID137493502
Molecular FormulaC87H56N2O2
Molecular Weight1161.42 g/mol
Exact Mass1160.43
IUPAC Name7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
SMILESCc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3ccc4cc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8C)cccc67)ccc4c3C53c4ccccc4-c4c3ccc3ccccc43)cccc12
InChIInChI=1S/C87H56N2O2/c1-53-21-9-12-28-62(53)69-32-17-34-71-73-36-19-39-78(85(73)90-83(69)71)88(58-24-5-3-6-25-58)60-44-48-65-56(51-60)41-46-67-68-47-42-57-52-61(45-49-66(57)82(68)87(81(65)67)76-38-16-15-31-75(76)80-64-30-14-11-23-55(64)43-50-77(80)87)89(59-26-7-4-8-27-59)79-40-20-37-74-72-35-18-33-70(84(72)91-86(74)79)63-29-13-10-22-54(63)2/h3-52H,1-2H3
InChIKeyCJDUIKQDXMPWKQ-UHFFFAOYSA-N
XLogP24.18
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.42
LogP ≤ 524.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine with MolForge

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Related Compounds

7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 162125262
7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494477
N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 137493510
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137492765
6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
CID 145353357
7-N',7-N',17-N',17-N'-tetraphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137495014
N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine
CID 145138048
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
5-N',20-N'-bis(6-tert-butyldibenzofuran-4-yl)-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137492805
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431282
12,12-dimethyl-3-N,17-N-bis(6-methyldibenzofuran-4-yl)-3-N,17-N-diphenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene-3,17-diamine
CID 90140433

Frequently Asked Questions

What is the IUPAC name of 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
The IUPAC name of 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine (CID 137493502) is 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine.
What is the SMILES notation for 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
The canonical SMILES for 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3ccc4cc(N(c6ccccc6)c6cccc7c6oc6c(-c8ccccc8C)cccc67)ccc4c3C53c4ccccc4-c4c3ccc3ccccc43)cccc12.
What is the InChIKey of 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
The InChIKey is CJDUIKQDXMPWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H56N2O2/c1-53-21-9-12-28-62(53)69-32-17-34-71-73-36-19-39-78(85(73)90-83(69)71)88(58-24-5-3-6-25-58)60-44-48-65-56(51-60)41-46-67-68-47-42-57-52-61(45-49-66(57)82(68)87(81(65)67)76-38-16-15-31-75(76)80-64-30-14-11-23-55(64)43-50-77(80)87)89(59-26-7-4-8-27-59)79-40-20-37-74-72-35-18-33-70(84(72)91-86(74)79)63-29-13-10-22-54(63)2/h3-52H,1-2H3.
What are the key properties of 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine?
7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine has a molecular weight of 1161.42 g/mol, XLogP of 24.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine is sourced from PubChem (CID 137493502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).