About (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]
(3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene] (PubChem CID 161163832) has the molecular formula C311H231N3
and a molecular weight of 4010.29 g/mol. Its IUPAC name is (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene].
Frequently Asked Questions
What is the IUPAC name of (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]?
The IUPAC name of (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene] (CID 161163832) is (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene].
What is the SMILES notation for (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]?
The canonical SMILES for (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene] is C/C=C\C=C/C.C1=C(c2cccccccc3ccccc23)CC2C(=C1)C1(c3ccccc3-c3cccc4cccc1c34)c1cccnc12.C1=CCCC=C1.C=C(/C=C1\C(=C)C2(c3ccccc31)c1ccccc1-c1cccc3cccc2c13)/C1=C\C=C/C=C\C=C\C2C=CC=CC12.C=C/C=C\C(=C)c1c(C=C)c(C=C)c(C(=C)/C=C2\C(=C)C3(c4ccccc42)c2ccccc2-c2cccc4cccc3c24)c2ccccc12.C=C/C=C\C(=C)c1c2ccccc2c(C(=C)/C=C2\C(=C)C3(c4ccccc4-c4cccc5cccc3c45)c3cccnc32)c2ccccc12.C=C/C=C\C=C.C=C/C=C\C=C.C=Cc1cccc(-c2c(C=C)c(C=C)c(-c3ccc4c(c3)-c3ncccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccccc23)c1C=C.c1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]?
The InChIKey is UQGQKRZBRIWMOX-DNSUQNAKSA-N. The full InChI is InChI=1S/C53H32.C52H35N.C49H36.C48H33N.C43H32.C42H29N.C6H8.C6H10.2C6H8/c1-2-18-36-33(14-1)15-11-25-39(36)52-43-23-5-3-21-41(43)50(42-22-4-6-24-44(42)52)35-30-31-48-45(32-35)38-20-8-10-28-47(38)53(48)46-27-9-7-19-37(46)40-26-12-16-34-17-13-29-49(53)51(34)40;1-5-32-17-13-23-39(35(32)6-2)50-37(8-4)36(7-3)48(41-21-9-10-22-42(41)50)34-28-29-45-43(31-34)51-47(27-16-30-53-51)52(45)44-25-12-11-20-38(44)40-24-14-18-33-19-15-26-46(52)49(33)40;1-7-10-19-31(4)46-35(8-2)36(9-3)47(41-25-12-11-24-40(41)46)32(5)30-42-33(6)49(44-28-16-14-23-38(42)44)43-27-15-13-22-37(43)39-26-17-20-34-21-18-29-45(49)48(34)39;1-5-6-16-30(2)44-36-20-7-9-22-38(36)45(39-23-10-8-21-37(39)44)31(3)29-40-32(4)48(43-27-15-28-49-47(40)43)41-25-12-11-19-34(41)35-24-13-17-33-18-14-26-42(48)46(33)35;1-29(33-20-7-5-3-4-6-16-31-17-8-9-21-34(31)33)28-38-30(2)43(40-26-13-11-23-36(38)40)39-25-12-10-22-35(39)37-24-14-18-32-19-15-27-41(43)42(32)37;1-2-4-13-28-14-6-7-18-31(28)32(17-5-3-1)30-24-25-37-35(27-30)41-39(23-12-26-43-41)42(37)36-21-9-8-19-33(36)34-20-10-15-29-16-11-22-38(42)40(29)34;1-2-4-6-5-3-1;3*1-3-5-6-4-2/h1-32H;5-31H,1-4H2;7-30H,1-6H2;5-29H,1-4H2;3-28,31,34H,1-2H2;1-26,35H,27H2;1-4H,5-6H2;3-6H,1-2H3;2*3-6H,1-2H2/b;;19-10-,42-30+;16-6-,40-29+;4-3-,7-5-,16-6+,33-20+,38-28+;2-1-,3-1-,4-2+,5-3-,13-4+,17-5+,28-13-,32-17+,32-31+;;5-3-,6-4-;2*6-5-.
What are the key properties of (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]?
(3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene] has a molecular weight of 4010.29 g/mol, XLogP of 81.74, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'E)-3'-[2-[(5Z,7Z,9Z,11E)-4a,12a-dihydrobenzo[10]annulen-5-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8-benzo[10]annulen-5-ylspiro[9,9a-dihydroindeno[1,2-b]pyridine-5,7'-benzo[a]phenalene];(3'E)-3'-[2-[2,3-bis(ethenyl)-4-[(3Z)-hexa-1,3,5-trien-2-yl]naphthalen-1-yl]prop-2-enylidene]-2'-methylidenespiro[benzo[a]phenalene-7,1'-indene];8'-[4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalen-1-yl]spiro[benzo[a]phenalene-7,5'-indeno[1,2-b]pyridine];cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;bis((3Z)-hexa-1,3,5-triene);(7'E)-7'-[2-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]prop-2-enylidene]-6'-methylidenespiro[benzo[a]phenalene-7,5'-cyclopenta[b]pyridine];3'-(10-naphthalen-1-ylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene] is sourced from PubChem (CID 161163832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).