19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

C108H64N8O2 — CID 138527747

About 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (PubChem CID 138527747) has the molecular formula C108H64N8O2 and a molecular weight of 1505.75 g/mol. Its IUPAC name is 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
• PubChem CID: 138527747
• Molecular Formula: C108H64N8O2
• Molecular Weight: 1505.75 g/mol
• Exact Mass: 1504.52
• IUPAC Name: 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
• SMILES: Cc1c(/C=C\Cc2cc3c(c4ccccc24)c2cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc5c6c(cccc6n4)Oc4c-5ccc5ccccc45)ccc2n3-c2ccccc2)c2cc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)ccc2n1-c1nc2c3c(cccc3n1)Oc1c-2ccc2ccccc12
• InChI: InChI=1S/C108H64N8O2/c1-62-74(84-58-67(66-43-49-77-71(57-66)48-56-93-98(77)81-34-16-17-38-89(81)114(93)72-25-4-2-5-26-72)45-52-90(84)113(62)107-109-87-36-19-39-96-101(87)103(111-107)82-50-41-64-22-9-12-31-78(64)105(82)117-96)35-18-24-70-61-95-100(80-33-15-14-29-75(70)80)85-59-68(46-53-91(85)115(95)73-27-6-3-7-28-73)69-47-54-92-86(60-69)99-76-30-11-8-21-63(76)44-55-94(99)116(92)108-110-88-37-20-40-97-102(88)104(112-108)83-51-42-65-23-10-13-32-79(65)106(83)118-97/h2-23,25-61H,24H2,1H3/b35-18-
• InChIKey: VYPSRBAQDRHBRL-AEUUOICLSA-N
• XLogP: 28.02
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1505.75
LogP ≤ 5	28.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

The IUPAC name of 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (CID 138527747) is 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.

What is the SMILES notation for 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

The canonical SMILES for 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is Cc1c(/C=C\Cc2cc3c(c4ccccc24)c2cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc5c6c(cccc6n4)Oc4c-5ccc5ccccc45)ccc2n3-c2ccccc2)c2cc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)ccc2n1-c1nc2c3c(cccc3n1)Oc1c-2ccc2ccccc12.

What is the InChIKey of 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

The InChIKey is VYPSRBAQDRHBRL-AEUUOICLSA-N. The full InChI is InChI=1S/C108H64N8O2/c1-62-74(84-58-67(66-43-49-77-71(57-66)48-56-93-98(77)81-34-16-17-38-89(81)114(93)72-25-4-2-5-26-72)45-52-90(84)113(62)107-109-87-36-19-39-96-101(87)103(111-107)82-50-41-64-22-9-12-31-78(64)105(82)117-96)35-18-24-70-61-95-100(80-33-15-14-29-75(70)80)85-59-68(46-53-91(85)115(95)73-27-6-3-7-28-73)69-47-54-92-86(60-69)99-76-30-11-8-21-63(76)44-55-94(99)116(92)108-110-88-37-20-40-97-102(88)104(112-108)83-51-42-65-23-10-13-32-79(65)106(83)118-97/h2-23,25-61H,24H2,1H3/b35-18-.

What are the key properties of 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?

19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene has a molecular weight of 1505.75 g/mol, XLogP of 28.02, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[2-methyl-3-[(Z)-3-[10-[7-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)benzo[c]carbazol-10-yl]-7-phenylbenzo[c]carbazol-5-yl]prop-1-enyl]-5-(7-phenylbenzo[c]carbazol-3-yl)indol-1-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is sourced from PubChem (CID 138527747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).