5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile

C110H62F6N10 — CID 138700397

About 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile

5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile (PubChem CID 138700397) has the molecular formula C110H62F6N10 and a molecular weight of 1637.76 g/mol. Its IUPAC name is 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile
• PubChem CID: 138700397
• Molecular Formula: C110H62F6N10
• Molecular Weight: 1637.76 g/mol
• Exact Mass: 1636.51
• IUPAC Name: 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7cc(-n9c%10ccccc%10c%10ccccc%109)ccc7n8-c7ccc(-c8cc(C(F)(F)F)c(-c9ccncc9)cc8C(F)(F)F)cc7)ccc65)ccc43)cc2)cc(C#N)c1-c1ccccn1
• InChI: InChI=1S/C110H62F6N10/c111-109(112,113)93-62-86(67-48-51-119-52-49-67)94(110(114,115)116)61-85(93)66-30-36-74(37-31-66)122-106-45-39-76(124-98-24-9-3-17-81(98)82-18-4-10-25-99(82)124)58-90(106)92-60-78(41-47-107(92)122)126-101-27-12-6-20-84(101)88-56-69(33-43-103(88)126)68-32-42-102-87(55-68)83-19-5-11-26-100(83)125(102)77-40-46-105-91(59-77)89-57-75(123-96-22-7-1-15-79(96)80-16-2-8-23-97(80)123)38-44-104(89)121(105)73-34-28-65(29-35-73)70-53-71(63-117)108(72(54-70)64-118)95-21-13-14-50-120-95/h1-62H
• InChIKey: RCABAXCLOSYSHR-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 102.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1637.76
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile?

The IUPAC name of 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile (CID 138700397) is 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile.

What is the SMILES notation for 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile?

The canonical SMILES for 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile is N#Cc1cc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7cc(-n9c%10ccccc%10c%10ccccc%109)ccc7n8-c7ccc(-c8cc(C(F)(F)F)c(-c9ccncc9)cc8C(F)(F)F)cc7)ccc65)ccc43)cc2)cc(C#N)c1-c1ccccn1.

What is the InChIKey of 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile?

The InChIKey is RCABAXCLOSYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H62F6N10/c111-109(112,113)93-62-86(67-48-51-119-52-49-67)94(110(114,115)116)61-85(93)66-30-36-74(37-31-66)122-106-45-39-76(124-98-24-9-3-17-81(98)82-18-4-10-25-99(82)124)58-90(106)92-60-78(41-47-107(92)122)126-101-27-12-6-20-84(101)88-56-69(33-43-103(88)126)68-32-42-102-87(55-68)83-19-5-11-26-100(83)125(102)77-40-46-105-91(59-77)89-57-75(123-96-22-7-1-15-79(96)80-16-2-8-23-97(80)123)38-44-104(89)121(105)73-34-28-65(29-35-73)70-53-71(63-117)108(72(54-70)64-118)95-21-13-14-50-120-95/h1-62H.

What are the key properties of 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile?

5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile has a molecular weight of 1637.76 g/mol, XLogP of 29.18, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 138700397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).