10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole

C298H278N12O — CID 165088278

About 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole (PubChem CID 165088278) has the molecular formula C298H278N12O and a molecular weight of 4043.58 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole.

Molecular Properties

• Compound Name: 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole
• PubChem CID: 165088278
• Molecular Formula: C298H278N12O
• Molecular Weight: 4043.58 g/mol
• Exact Mass: 4040.21
• IUPAC Name: 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(-n2c3ccc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)cc3c3cc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3n4-c3ccccc3)c2)cc1
• InChI: InChI=1S/C174H172N10.C70H69NO.C54H37N/c1-163(2,3)101-37-61-143-123(81-101)124-82-102(164(4,5)6)38-62-144(124)177(143)115-53-73-155-135(93-115)136-94-116(178-145-63-39-103(165(7,8)9)83-125(145)126-84-104(166(10,11)12)40-64-146(126)178)54-74-156(136)175(155)113-49-51-114(52-50-113)176-157-75-55-121(183-159-77-57-117(179-147-65-41-105(167(13,14)15)85-127(147)128-86-106(168(16,17)18)42-66-148(128)179)97-139(159)140-98-118(58-78-160(140)183)180-149-67-43-107(169(19,20)21)87-129(149)130-88-108(170(22,23)24)44-68-150(130)180)95-137(157)138-96-122(56-76-158(138)176)184-161-79-59-119(181-151-69-45-109(171(25,26)27)89-131(151)132-90-110(172(28,29)30)46-70-152(132)181)99-141(161)142-100-120(60-80-162(142)184)182-153-71-47-111(173(31,32)33)91-133(153)134-92-112(174(34,35)36)48-72-154(134)182;1-67(2,3)58-29-21-46(22-30-58)50-37-51(47-23-31-59(32-24-47)68(4,5)6)40-54(39-50)56-43-57(45-62(44-56)71-63-17-13-15-19-65(63)72-66-20-16-14-18-64(66)71)55-41-52(48-25-33-60(34-26-48)69(7,8)9)38-53(42-55)49-27-35-61(36-28-49)70(10,11)12;1-6-16-38(17-7-1)44-30-45(39-18-8-2-9-19-39)33-48(32-44)42-26-28-53-51(36-42)52-37-43(27-29-54(52)55(53)50-24-14-5-15-25-50)49-34-46(40-20-10-3-11-21-40)31-47(35-49)41-22-12-4-13-23-41/h37-100H,1-36H3;13-45H,1-12H3;1-37H
• InChIKey: WGNWZIVPHMFGMW-UHFFFAOYSA-N
• XLogP: 83.47
• TPSA: 66.70 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 311
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4043.58
LogP ≤ 5	83.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole?

The IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole (CID 165088278) is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole.

What is the SMILES notation for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole?

The canonical SMILES for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(-n2c3ccc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)cc3c3cc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3n4-c3ccccc3)c2)cc1.

What is the InChIKey of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole?

The InChIKey is WGNWZIVPHMFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H172N10.C70H69NO.C54H37N/c1-163(2,3)101-37-61-143-123(81-101)124-82-102(164(4,5)6)38-62-144(124)177(143)115-53-73-155-135(93-115)136-94-116(178-145-63-39-103(165(7,8)9)83-125(145)126-84-104(166(10,11)12)40-64-146(126)178)54-74-156(136)175(155)113-49-51-114(52-50-113)176-157-75-55-121(183-159-77-57-117(179-147-65-41-105(167(13,14)15)85-127(147)128-86-106(168(16,17)18)42-66-148(128)179)97-139(159)140-98-118(58-78-160(140)183)180-149-67-43-107(169(19,20)21)87-129(149)130-88-108(170(22,23)24)44-68-150(130)180)95-137(157)138-96-122(56-76-158(138)176)184-161-79-59-119(181-151-69-45-109(171(25,26)27)89-131(151)132-90-110(172(28,29)30)46-70-152(132)181)99-141(161)142-100-120(60-80-162(142)184)182-153-71-47-111(173(31,32)33)91-133(153)134-92-112(174(34,35)36)48-72-154(134)182;1-67(2,3)58-29-21-46(22-30-58)50-37-51(47-23-31-59(32-24-47)68(4,5)6)40-54(39-50)56-43-57(45-62(44-56)71-63-17-13-15-19-65(63)72-66-20-16-14-18-64(66)71)55-41-52(48-25-33-60(34-26-48)69(7,8)9)38-53(42-55)49-27-35-61(36-28-49)70(10,11)12;1-6-16-38(17-7-1)44-30-45(39-18-8-2-9-19-39)33-48(32-44)42-26-28-53-51(36-42)52-37-43(27-29-54(52)55(53)50-24-14-5-15-25-50)49-34-46(40-20-10-3-11-21-40)31-47(35-49)41-22-12-4-13-23-41/h37-100H,1-36H3;13-45H,1-12H3;1-37H.

What are the key properties of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole?

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole has a molecular weight of 4043.58 g/mol, XLogP of 83.47, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 165088278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).