12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C108H64N14O2 — CID 157193668

IUPAC12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESC1=C(c2ccc3ccccc3c2)C=C2c3nc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6cccc(-c7ccc8cc9cc(-c%10cnc%11oc%12cnc(-c%13ccc(-c%14nc(-c%15ccccc%15)nc(-c%15ccc(-n%16c%17ccccc%17c%17ccccc%17%16)cc%15)n%14)cc%13)nc%12c%11c%10)ccc9cc8c7)c6)n5)cc4)ncc3OC2N1
InChIInChI=1S/C108H64N14O2/c1-2-16-64(17-3-1)101-115-102(117-104(116-101)69-43-47-83(48-44-69)121-91-25-10-6-21-85(91)86-22-7-11-26-92(86)121)67-34-30-65(31-35-67)99-110-62-96-98(114-99)90-58-82(60-112-108(90)124-96)77-42-41-75-54-79-53-73(39-40-74(79)55-80(75)56-77)72-19-14-20-78(52-72)106-119-103(118-105(120-106)70-45-49-84(50-46-70)122-93-27-12-8-23-87(93)88-24-9-13-28-94(88)122)68-36-32-66(33-37-68)100-109-61-95-97(113-100)89-57-81(59-111-107(89)123-95)76-38-29-63-15-4-5-18-71(63)51-76/h1-62,107,111H
InChIKeyAPZKGRZIEDZHSJ-UHFFFAOYSA-N
MW1589.80 g/mol
LogP25.00
Rot. Bonds13

About 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 157193668) has the molecular formula C108H64N14O2 and a molecular weight of 1589.80 g/mol. Its IUPAC name is 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID157193668
Molecular FormulaC108H64N14O2
Molecular Weight1589.80 g/mol
Exact Mass1588.53
IUPAC Name12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESC1=C(c2ccc3ccccc3c2)C=C2c3nc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6cccc(-c7ccc8cc9cc(-c%10cnc%11oc%12cnc(-c%13ccc(-c%14nc(-c%15ccccc%15)nc(-c%15ccc(-n%16c%17ccccc%17c%17ccccc%17%16)cc%15)n%14)cc%13)nc%12c%11c%10)ccc9cc8c7)c6)n5)cc4)ncc3OC2N1
InChIInChI=1S/C108H64N14O2/c1-2-16-64(17-3-1)101-115-102(117-104(116-101)69-43-47-83(48-44-69)121-91-25-10-6-21-85(91)86-22-7-11-26-92(86)121)67-34-30-65(31-35-67)99-110-62-96-98(114-99)90-58-82(60-112-108(90)124-96)77-42-41-75-54-79-53-73(39-40-74(79)55-80(75)56-77)72-19-14-20-78(52-72)106-119-103(118-105(120-106)70-45-49-84(50-46-70)122-93-27-12-8-23-87(93)88-24-9-13-28-94(88)122)68-36-32-66(33-37-68)100-109-61-95-97(113-100)89-57-81(59-111-107(89)123-95)76-38-29-63-15-4-5-18-71(63)51-76/h1-62,107,111H
InChIKeyAPZKGRZIEDZHSJ-UHFFFAOYSA-N
XLogP25.00
TPSA186.05 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.80
LogP ≤ 525.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067799
2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 46205562
2-(1H-Indol-4-yl)-4,8-di-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50991007
3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-ylmethyl]-piperazin-1-yl}-propionitrile
CID 50991102
2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50992289
US9580442, Example F
CID 50992290
(E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-dimethylacrylamide
CID 50992291
[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-ylmethyl]-dimethyl-amine
CID 50992382
US9580442, Example I
CID 50992383
US9580442, Example J
CID 50992384
2-(1H-Indol-4-yl)-4-morpholin-4-yl-8-morpholin-4-ylmethyl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50992385
[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-ylmethyl]-(2-methoxy-ethyl)-methyl-amine
CID 50992386

Frequently Asked Questions

What is the IUPAC name of 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 157193668) is 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is C1=C(c2ccc3ccccc3c2)C=C2c3nc(-c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6cccc(-c7ccc8cc9cc(-c%10cnc%11oc%12cnc(-c%13ccc(-c%14nc(-c%15ccccc%15)nc(-c%15ccc(-n%16c%17ccccc%17c%17ccccc%17%16)cc%15)n%14)cc%13)nc%12c%11c%10)ccc9cc8c7)c6)n5)cc4)ncc3OC2N1.
What is the InChIKey of 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is APZKGRZIEDZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H64N14O2/c1-2-16-64(17-3-1)101-115-102(117-104(116-101)69-43-47-83(48-44-69)121-91-25-10-6-21-85(91)86-22-7-11-26-92(86)121)67-34-30-65(31-35-67)99-110-62-96-98(114-99)90-58-82(60-112-108(90)124-96)77-42-41-75-54-79-53-73(39-40-74(79)55-80(75)56-77)72-19-14-20-78(52-72)106-119-103(118-105(120-106)70-45-49-84(50-46-70)122-93-27-12-8-23-87(93)88-24-9-13-28-94(88)122)68-36-32-66(33-37-68)100-109-61-95-97(113-100)89-57-81(59-111-107(89)123-95)76-38-29-63-15-4-5-18-71(63)51-76/h1-62,107,111H.
What are the key properties of 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 1589.80 g/mol, XLogP of 25.00, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,11-pentaen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]anthracen-2-yl]-4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 157193668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).