N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine

C63H49FN2 — CID 59171740

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)cc21
InChIInChI=1S/C63H49FN2/c1-61(2)53-16-10-7-13-45(53)48-29-25-42(35-56(48)61)65(43-26-30-49-46-14-8-11-17-54(46)62(3,4)57(49)36-43)44-27-31-50-47-28-19-39(34-55(47)63(5,6)58(50)37-44)38-20-32-60-52(33-38)51-15-9-12-18-59(51)66(60)41-23-21-40(64)22-24-41/h7-37H,1-6H3
InChIKeyIHNZGFQQQJBGRT-UHFFFAOYSA-N
MW853.10 g/mol
LogP16.98
Rot. Bonds5

About N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 59171740) has the molecular formula C63H49FN2 and a molecular weight of 853.10 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
PubChem CID59171740
Molecular FormulaC63H49FN2
Molecular Weight853.10 g/mol
Exact Mass852.39
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)cc21
InChIInChI=1S/C63H49FN2/c1-61(2)53-16-10-7-13-45(53)48-29-25-42(35-56(48)61)65(43-26-30-49-46-14-8-11-17-54(46)62(3,4)57(49)36-43)44-27-31-50-47-28-19-39(34-55(47)63(5,6)58(50)37-44)38-20-32-60-52(33-38)51-15-9-12-18-59(51)66(60)41-23-21-40(64)22-24-41/h7-37H,1-6H3
InChIKeyIHNZGFQQQJBGRT-UHFFFAOYSA-N
XLogP16.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.10
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine (CID 59171740) is N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is IHNZGFQQQJBGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49FN2/c1-61(2)53-16-10-7-13-45(53)48-29-25-42(35-56(48)61)65(43-26-30-49-46-14-8-11-17-54(46)62(3,4)57(49)36-43)44-27-31-50-47-28-19-39(34-55(47)63(5,6)58(50)37-44)38-20-32-60-52(33-38)51-15-9-12-18-59(51)66(60)41-23-21-40(64)22-24-41/h7-37H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 853.10 g/mol, XLogP of 16.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 59171740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).