3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C137H84N4O — CID 138744026

About 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 138744026) has the molecular formula C137H84N4O and a molecular weight of 1802.21 g/mol. Its IUPAC name is 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

• Compound Name: 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• PubChem CID: 138744026
• Molecular Formula: C137H84N4O
• Molecular Weight: 1802.21 g/mol
• Exact Mass: 1800.66
• IUPAC Name: 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)-c5ccccc5C75c6ccccc6-c6c(-c7ccc8oc9c(-c%10ccc(-n%11c%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13cccc(-c%14ccccc%14)c%13)cc%12c%12cc%13c(cc%12%11)C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11-%13)cc%10)cccc9c8c7)cccc65)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C137H84N4O/c1-135(2)113-47-19-12-39-97(113)104-77-110-108-75-87(58-67-125(108)138(128(110)79-121(104)135)89-32-8-4-9-33-89)85-60-69-127-107(73-85)100-64-65-120-132(133(100)141(127)90-34-10-5-11-35-90)103-43-17-24-52-118(103)137(120)117-51-23-16-42-102(117)131-93(44-28-53-119(131)137)88-61-70-130-112(76-88)101-46-27-45-94(134(101)142-130)82-55-62-91(63-56-82)139-126-68-59-86(84-57-66-124-106(72-84)99-41-18-25-54-123(99)140(124)92-36-26-31-83(71-92)81-29-6-3-7-30-81)74-109(126)111-78-105-98-40-15-22-50-116(98)136(122(105)80-129(111)139)114-48-20-13-37-95(114)96-38-14-21-49-115(96)136/h3-80H,1-2H3
• InChIKey: WXLQXPSOYZFPAH-UHFFFAOYSA-N
• XLogP: 35.30
• TPSA: 32.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.21
LogP ≤ 5	35.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The IUPAC name of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 138744026) is 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

What is the SMILES notation for 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The canonical SMILES for 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)-c5ccccc5C75c6ccccc6-c6c(-c7ccc8oc9c(-c%10ccc(-n%11c%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13cccc(-c%14ccccc%14)c%13)cc%12c%12cc%13c(cc%12%11)C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11-%13)cc%10)cccc9c8c7)cccc65)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The InChIKey is WXLQXPSOYZFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H84N4O/c1-135(2)113-47-19-12-39-97(113)104-77-110-108-75-87(58-67-125(108)138(128(110)79-121(104)135)89-32-8-4-9-33-89)85-60-69-127-107(73-85)100-64-65-120-132(133(100)141(127)90-34-10-5-11-35-90)103-43-17-24-52-118(103)137(120)117-51-23-16-42-102(117)131-93(44-28-53-119(131)137)88-61-70-130-112(76-88)101-46-27-45-94(134(101)142-130)82-55-62-91(63-56-82)139-126-68-59-86(84-57-66-124-106(72-84)99-41-18-25-54-123(99)140(124)92-36-26-31-83(71-92)81-29-6-3-7-30-81)74-109(126)111-78-105-98-40-15-22-50-116(98)136(122(105)80-129(111)139)114-48-20-13-37-95(114)96-38-14-21-49-115(96)136/h3-80H,1-2H3.

What are the key properties of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 1802.21 g/mol, XLogP of 35.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 138744026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).