2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole

C72H42N2O — CID 155008129

IUPAC2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3c5ccccc5c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccc9ccccc9c8c7cc56)c5ccccc35)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C72H42N2O/c1-3-18-46(19-4-1)73-64-30-16-15-25-51(64)60-40-67-61(41-66(60)73)59-37-44(33-36-65(59)74(67)47-20-5-2-6-21-47)70-53-26-11-13-28-55(53)71(56-29-14-12-27-54(56)70)45-32-34-52-62-39-63-58(42-69(62)75-68(52)38-45)50-24-10-9-23-49(50)57-35-31-43-17-7-8-22-48(43)72(57)63/h1-42H
InChIKeyZNCDLDKVYUPKTH-UHFFFAOYSA-N
MW951.14 g/mol
LogP20.03
Rot. Bonds4

About 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole

2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 155008129) has the molecular formula C72H42N2O and a molecular weight of 951.14 g/mol. Its IUPAC name is 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID155008129
Molecular FormulaC72H42N2O
Molecular Weight951.14 g/mol
Exact Mass950.33
IUPAC Name2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3c5ccccc5c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccc9ccccc9c8c7cc56)c5ccccc35)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C72H42N2O/c1-3-18-46(19-4-1)73-64-30-16-15-25-51(64)60-40-67-61(41-66(60)73)59-37-44(33-36-65(59)74(67)47-20-5-2-6-21-47)70-53-26-11-13-28-55(53)71(56-29-14-12-27-54(56)70)45-32-34-52-62-39-63-58(42-69(62)75-68(52)38-45)50-24-10-9-23-49(50)57-35-31-43-17-7-8-22-48(43)72(57)63/h1-42H
InChIKeyZNCDLDKVYUPKTH-UHFFFAOYSA-N
XLogP20.03
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.14
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

3-(3,5-dimethylphenyl)-6-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155008204
9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
CID 154600343
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
7,17-di(phenanthren-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;3-[17-(6,9-diphenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole;7,17-di(triphenylen-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 159138174
25-(10-anthracen-9-ylanthracen-9-yl)-21-oxaheptacyclo[16.11.0.02,11.04,9.012,17.020,28.022,27]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20(28),22(27),23,25-tetradecaene;25-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-21-oxaheptacyclo[16.11.0.02,11.04,9.012,17.020,28.022,27]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20(28),22(27),23,25-tetradecaene;25-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-21-oxaheptacyclo[16.11.0.02,11.04,9.012,17.020,28.022,27]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20(28),22(27),23,25-tetradecaene;3-[10-[10-(21-oxaheptacyclo[16.11.0.02,11.04,9.012,17.020,28.022,27]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20(28),22(27),23,25-tetradecaen-25-yl)anthracen-9-yl]anthracen-9-yl]-9-phenylcarbazole;25-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]-21-oxaheptacyclo[16.11.0.02,11.04,9.012,17.020,28.022,27]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20(28),22(27),23,25-tetradecaene
CID 157320827
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176743806
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399

Frequently Asked Questions

What is the IUPAC name of 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole (CID 155008129) is 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3c5ccccc5c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccc9ccccc9c8c7cc56)c5ccccc35)ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is ZNCDLDKVYUPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N2O/c1-3-18-46(19-4-1)73-64-30-16-15-25-51(64)60-40-67-61(41-66(60)73)59-37-44(33-36-65(59)74(67)47-20-5-2-6-21-47)70-53-26-11-13-28-55(53)71(56-29-14-12-27-54(56)70)45-32-34-52-62-39-63-58(42-69(62)75-68(52)38-45)50-24-10-9-23-49(50)57-35-31-43-17-7-8-22-48(43)72(57)63/h1-42H.
What are the key properties of 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole?
2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 951.14 g/mol, XLogP of 20.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(21-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.022,27]nonacosa-1(18),2(11),3,5,7,9,12,14,16,19,22(27),23,25,28-tetradecaen-24-yl)anthracen-9-yl]-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155008129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).