2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline

C81H63NO6 — CID 132569394

IUPAC2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
SMILESCOc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4OC)c4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4OC)c(OC)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C81H63NO6/c1-83-58-40-31-52(32-41-58)79(67-25-13-7-19-61(67)62-20-8-14-26-68(62)79)55-37-46-73(76(49-55)86-4)82(74-47-38-56(50-77(74)87-5)80(53-33-42-59(84-2)43-34-53)69-27-15-9-21-63(69)64-22-10-16-28-70(64)80)75-48-39-57(51-78(75)88-6)81(54-35-44-60(85-3)45-36-54)71-29-17-11-23-65(71)66-24-12-18-30-72(66)81/h7-51H,1-6H3
InChIKeyBLLOGMSBQNZIMX-UHFFFAOYSA-N
MW1146.40 g/mol
LogP18.30
Rot. Bonds15

About 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline

2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline (PubChem CID 132569394) has the molecular formula C81H63NO6 and a molecular weight of 1146.40 g/mol. Its IUPAC name is 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline.

Molecular Properties

Compound Name2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
PubChem CID132569394
Molecular FormulaC81H63NO6
Molecular Weight1146.40 g/mol
Exact Mass1145.47
IUPAC Name2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
SMILESCOc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4OC)c4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4OC)c(OC)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C81H63NO6/c1-83-58-40-31-52(32-41-58)79(67-25-13-7-19-61(67)62-20-8-14-26-68(62)79)55-37-46-73(76(49-55)86-4)82(74-47-38-56(50-77(74)87-5)80(53-33-42-59(84-2)43-34-53)69-27-15-9-21-63(69)64-22-10-16-28-70(64)80)75-48-39-57(51-78(75)88-6)81(54-35-44-60(85-3)45-36-54)71-29-17-11-23-65(71)66-24-12-18-30-72(66)81/h7-51H,1-6H3
InChIKeyBLLOGMSBQNZIMX-UHFFFAOYSA-N
XLogP18.30
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.40
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
N-(9,9-diphenylfluoren-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
CID 121423384
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011
9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
4-[4-[9-[4-(4-aminophenoxy)-3,5-dimethoxyphenyl]fluoren-9-yl]-2,6-dimethoxyphenoxy]aniline
CID 167440366
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline?
The IUPAC name of 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline (CID 132569394) is 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline.
What is the SMILES notation for 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline?
The canonical SMILES for 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline is COc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4OC)c4ccc(C5(c6ccc(OC)cc6)c6ccccc6-c6ccccc65)cc4OC)c(OC)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline?
The InChIKey is BLLOGMSBQNZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H63NO6/c1-83-58-40-31-52(32-41-58)79(67-25-13-7-19-61(67)62-20-8-14-26-68(62)79)55-37-46-73(76(49-55)86-4)82(74-47-38-56(50-77(74)87-5)80(53-33-42-59(84-2)43-34-53)69-27-15-9-21-63(69)64-22-10-16-28-70(64)80)75-48-39-57(51-78(75)88-6)81(54-35-44-60(85-3)45-36-54)71-29-17-11-23-65(71)66-24-12-18-30-72(66)81/h7-51H,1-6H3.
What are the key properties of 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline?
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline has a molecular weight of 1146.40 g/mol, XLogP of 18.30, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline is sourced from PubChem (CID 132569394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).