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

C66H48FN3 — CID 59171770

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C66H48FN3/c1-65(2)57-19-11-8-16-49(57)51-32-28-47(39-59(51)65)68(46-30-35-64-56(38-46)54-18-10-13-21-62(54)69(64)44-14-6-5-7-15-44)48-29-33-52-50-31-22-42(37-58(50)66(3,4)60(52)40-48)41-23-34-63-55(36-41)53-17-9-12-20-61(53)70(63)45-26-24-43(67)25-27-45/h5-40H,1-4H3
InChIKeyMLYMNAKUHBCPHL-UHFFFAOYSA-N
MW902.13 g/mol
LogP17.77
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine (PubChem CID 59171770) has the molecular formula C66H48FN3 and a molecular weight of 902.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
PubChem CID59171770
Molecular FormulaC66H48FN3
Molecular Weight902.13 g/mol
Exact Mass901.38
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C66H48FN3/c1-65(2)57-19-11-8-16-49(57)51-32-28-47(39-59(51)65)68(46-30-35-64-56(38-46)54-18-10-13-21-62(54)69(64)44-14-6-5-7-15-44)48-29-33-52-50-31-22-42(37-58(50)66(3,4)60(52)40-48)41-23-34-63-55(36-41)53-17-9-12-20-61(53)70(63)45-26-24-43(67)25-27-45/h5-40H,1-4H3
InChIKeyMLYMNAKUHBCPHL-UHFFFAOYSA-N
XLogP17.77
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.13
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine (CID 59171770) is N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(F)cc5)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
The InChIKey is MLYMNAKUHBCPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48FN3/c1-65(2)57-19-11-8-16-49(57)51-32-28-47(39-59(51)65)68(46-30-35-64-56(38-46)54-18-10-13-21-62(54)69(64)44-14-6-5-7-15-44)48-29-33-52-50-31-22-42(37-58(50)66(3,4)60(52)40-48)41-23-34-63-55(36-41)53-17-9-12-20-61(53)70(63)45-26-24-43(67)25-27-45/h5-40H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine has a molecular weight of 902.13 g/mol, XLogP of 17.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 59171770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).