5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole

C192H119N9O3S — CID 139307308

About 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole

5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole (PubChem CID 139307308) has the molecular formula C192H119N9O3S and a molecular weight of 2632.19 g/mol. Its IUPAC name is 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole
• PubChem CID: 139307308
• Molecular Formula: C192H119N9O3S
• Molecular Weight: 2632.19 g/mol
• Exact Mass: 2629.92
• IUPAC Name: 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7cc(-c9ccccc9)ccc7-8)c7ccccc7n6)cc5-c5ccc6sc7ccccc7c6c5)cc4)cc3)ccc2-c2c1ccc1c2c2ccccc2n1-c1cccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccc(-c4cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)C8(c%10ccccc%10Oc%10ccccc%108)c8ccccc8-9)n7)c6)c5c5c4-c4ccccc4C5(C)C)cc3)n2)c1
• InChI: InChI=1S/C192H119N9O3S/c1-188(2)157-98-99-168-179(178(157)141-97-86-120(105-158(141)188)115-75-73-113(74-76-115)114-77-79-116(80-78-114)131-92-89-127(104-144(131)122-91-100-176-146(103-122)139-50-17-36-72-175(139)205-176)185-193-163-63-27-14-52-142(163)181(196-185)125-88-95-137-136-93-85-121(112-39-7-5-8-40-112)106-159(136)192(161(137)108-125)155-61-25-34-70-173(155)204-174-71-35-26-62-156(174)192)143-53-16-29-65-167(143)200(168)129-45-37-43-123(101-129)164-111-165(124-87-94-134-132-47-11-19-55-149(132)190(160(134)107-124)151-57-21-30-66-169(151)202-170-67-31-22-58-152(170)190)195-183(194-164)119-83-81-117(82-84-119)145-110-147-138-49-15-28-64-166(138)201(182(147)180-177(145)140-51-13-18-54-148(140)189(180,3)4)130-46-38-44-126(102-130)186-197-184(118-41-9-6-10-42-118)198-187(199-186)128-90-96-135-133-48-12-20-56-150(133)191(162(135)109-128)153-59-23-32-68-171(153)203-172-69-33-24-60-154(172)191/h5-111H,1-4H3
• InChIKey: AYEKMPPVXVFHTR-UHFFFAOYSA-N
• XLogP: 48.52
• TPSA: 127.78 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.19
LogP ≤ 5	48.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole?

The IUPAC name of 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole (CID 139307308) is 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole.

What is the SMILES notation for 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole?

The canonical SMILES for 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7cc(-c9ccccc9)ccc7-8)c7ccccc7n6)cc5-c5ccc6sc7ccccc7c6c5)cc4)cc3)ccc2-c2c1ccc1c2c2ccccc2n1-c1cccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccc(-c4cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)C8(c%10ccccc%10Oc%10ccccc%108)c8ccccc8-9)n7)c6)c5c5c4-c4ccccc4C5(C)C)cc3)n2)c1.

What is the InChIKey of 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole?

The InChIKey is AYEKMPPVXVFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C192H119N9O3S/c1-188(2)157-98-99-168-179(178(157)141-97-86-120(105-158(141)188)115-75-73-113(74-76-115)114-77-79-116(80-78-114)131-92-89-127(104-144(131)122-91-100-176-146(103-122)139-50-17-36-72-175(139)205-176)185-193-163-63-27-14-52-142(163)181(196-185)125-88-95-137-136-93-85-121(112-39-7-5-8-40-112)106-159(136)192(161(137)108-125)155-61-25-34-70-173(155)204-174-71-35-26-62-156(174)192)143-53-16-29-65-167(143)200(168)129-45-37-43-123(101-129)164-111-165(124-87-94-134-132-47-11-19-55-149(132)190(160(134)107-124)151-57-21-30-66-169(151)202-170-67-31-22-58-152(170)190)195-183(194-164)119-83-81-117(82-84-119)145-110-147-138-49-15-28-64-166(138)201(182(147)180-177(145)140-51-13-18-54-148(140)189(180,3)4)130-46-38-44-126(102-130)186-197-184(118-41-9-6-10-42-118)198-187(199-186)128-90-96-135-133-48-12-20-56-150(133)191(162(135)109-128)153-59-23-32-68-171(153)203-172-69-33-24-60-154(172)191/h5-111H,1-4H3.

What are the key properties of 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole?

5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole has a molecular weight of 2632.19 g/mol, XLogP of 48.52, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[3-[17-[4-[4-[2-dibenzothiophen-2-yl-4-[4-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)quinazolin-2-yl]phenyl]phenyl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidin-2-yl]phenyl]-12,12-dimethyl-11-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-a]carbazole is sourced from PubChem (CID 139307308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).