2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

C123H77N9O6 — CID 155366453

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5nc6cc(CC7(C)c8ccccc8-c8c(-n9c%10ccc(-c%11nc%12ccccc%12o%11)cc%10c%10cc(-c%11nc%12ccccc%12o%11)ccc%109)cccc87)ccc6o5)cc4c4cc(-c5nc6cc(-c7ccc8nc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12o%11)ccc9n%10-c9cccc%10c9C(C)(C)c9ccccc9-%10)oc8c7)ccc6o5)ccc43)ccc21
InChIInChI=1S/C123H77N9O6/c1-121(2)88-24-9-7-21-78(88)81-65-76(45-46-90(81)121)130-99-48-38-74(119-128-97-56-67(36-54-110(97)136-119)66-123(5)91-26-11-8-22-80(91)113-92(123)27-19-31-105(113)131-101-50-40-70(115-124-93-28-12-15-33-107(93)133-115)59-84(101)85-60-71(41-51-102(85)131)116-125-94-29-13-16-34-108(94)134-116)57-82(99)83-58-75(39-49-100(83)130)120-129-98-63-68(44-55-111(98)137-120)69-37-47-96-112(64-69)138-118(127-96)73-43-53-104-87(62-73)86-61-72(117-126-95-30-14-17-35-109(95)135-117)42-52-103(86)132(104)106-32-18-23-79-77-20-6-10-25-89(77)122(3,4)114(79)106/h6-65H,66H2,1-5H3
InChIKeyOSUVDSXOBYZNJG-UHFFFAOYSA-N
MW1777.03 g/mol
LogP31.64
Rot. Bonds12

About 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (PubChem CID 155366453) has the molecular formula C123H77N9O6 and a molecular weight of 1777.03 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
PubChem CID155366453
Molecular FormulaC123H77N9O6
Molecular Weight1777.03 g/mol
Exact Mass1775.60
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5nc6cc(CC7(C)c8ccccc8-c8c(-n9c%10ccc(-c%11nc%12ccccc%12o%11)cc%10c%10cc(-c%11nc%12ccccc%12o%11)ccc%109)cccc87)ccc6o5)cc4c4cc(-c5nc6cc(-c7ccc8nc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12o%11)ccc9n%10-c9cccc%10c9C(C)(C)c9ccccc9-%10)oc8c7)ccc6o5)ccc43)ccc21
InChIInChI=1S/C123H77N9O6/c1-121(2)88-24-9-7-21-78(88)81-65-76(45-46-90(81)121)130-99-48-38-74(119-128-97-56-67(36-54-110(97)136-119)66-123(5)91-26-11-8-22-80(91)113-92(123)27-19-31-105(113)131-101-50-40-70(115-124-93-28-12-15-33-107(93)133-115)59-84(101)85-60-71(41-51-102(85)131)116-125-94-29-13-16-34-108(94)134-116)57-82(99)83-58-75(39-49-100(83)130)120-129-98-63-68(44-55-111(98)137-120)69-37-47-96-112(64-69)138-118(127-96)73-43-53-104-87(62-73)86-61-72(117-126-95-30-14-17-35-109(95)135-117)42-52-103(86)132(104)106-32-18-23-79-77-20-6-10-25-89(77)122(3,4)114(79)106/h6-65H,66H2,1-5H3
InChIKeyOSUVDSXOBYZNJG-UHFFFAOYSA-N
XLogP31.64
TPSA170.97 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.03
LogP ≤ 531.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (CID 155366453) is 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is CC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5nc6cc(CC7(C)c8ccccc8-c8c(-n9c%10ccc(-c%11nc%12ccccc%12o%11)cc%10c%10cc(-c%11nc%12ccccc%12o%11)ccc%109)cccc87)ccc6o5)cc4c4cc(-c5nc6cc(-c7ccc8nc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12o%11)ccc9n%10-c9cccc%10c9C(C)(C)c9ccccc9-%10)oc8c7)ccc6o5)ccc43)ccc21.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The InChIKey is OSUVDSXOBYZNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H77N9O6/c1-121(2)88-24-9-7-21-78(88)81-65-76(45-46-90(81)121)130-99-48-38-74(119-128-97-56-67(36-54-110(97)136-119)66-123(5)91-26-11-8-22-80(91)113-92(123)27-19-31-105(113)131-101-50-40-70(115-124-93-28-12-15-33-107(93)133-115)59-84(101)85-60-71(41-51-102(85)131)116-125-94-29-13-16-34-108(94)134-116)57-82(99)83-58-75(39-49-100(83)130)120-129-98-63-68(44-55-111(98)137-120)69-37-47-96-112(64-69)138-118(127-96)73-43-53-104-87(62-73)86-61-72(117-126-95-30-14-17-35-109(95)135-117)42-52-103(86)132(104)106-32-18-23-79-77-20-6-10-25-89(77)122(3,4)114(79)106/h6-65H,66H2,1-5H3.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole has a molecular weight of 1777.03 g/mol, XLogP of 31.64, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-6-[2-[6-[5-[[4-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]-9-methylfluoren-9-yl]methyl]-1,3-benzoxazol-2-yl]-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).