2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline

C150H88N6 — CID 163594141

IUPAC2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline
SMILESc1ccc(-c2nc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3nc2-c2ccc(-c3ccnc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc(-c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c7nc(-c8ccccc8)c(-c8ccc(-c9cccnc9)cc8)nc67)cc54)c3)cc2)cc1
InChIInChI=1S/C150H88N6/c1-3-31-91(32-4-1)139-141(155-145-103(98-70-74-117-113-44-15-26-56-129(113)149(135(117)85-98)125-52-22-11-40-109(125)110-41-12-23-53-126(110)149)78-76-101(143(145)153-139)96-68-72-115-111-42-13-24-54-127(111)147(133(115)83-96)121-48-18-7-36-105(121)106-37-8-19-49-122(106)147)93-64-60-89(61-65-93)95-80-82-152-137(87-95)120-47-29-59-132-138(120)119-46-17-28-58-131(119)150(132)130-57-27-16-45-114(130)118-75-71-99(86-136(118)150)104-79-77-102(144-146(104)156-142(140(154-144)92-33-5-2-6-34-92)94-66-62-90(63-67-94)100-35-30-81-151-88-100)97-69-73-116-112-43-14-25-55-128(112)148(134(116)84-97)123-50-20-9-38-107(123)108-39-10-21-51-124(108)148/h1-88H
InChIKeyGRYVXFSHZWFDDP-UHFFFAOYSA-N
MW1974.40 g/mol
LogP36.07
Rot. Bonds11

About 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline

2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline (PubChem CID 163594141) has the molecular formula C150H88N6 and a molecular weight of 1974.40 g/mol. Its IUPAC name is 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline
PubChem CID163594141
Molecular FormulaC150H88N6
Molecular Weight1974.40 g/mol
Exact Mass1972.71
IUPAC Name2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline
SMILESc1ccc(-c2nc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3nc2-c2ccc(-c3ccnc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc(-c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c7nc(-c8ccccc8)c(-c8ccc(-c9cccnc9)cc8)nc67)cc54)c3)cc2)cc1
InChIInChI=1S/C150H88N6/c1-3-31-91(32-4-1)139-141(155-145-103(98-70-74-117-113-44-15-26-56-129(113)149(135(117)85-98)125-52-22-11-40-109(125)110-41-12-23-53-126(110)149)78-76-101(143(145)153-139)96-68-72-115-111-42-13-24-54-127(111)147(133(115)83-96)121-48-18-7-36-105(121)106-37-8-19-49-122(106)147)93-64-60-89(61-65-93)95-80-82-152-137(87-95)120-47-29-59-132-138(120)119-46-17-28-58-131(119)150(132)130-57-27-16-45-114(130)118-75-71-99(86-136(118)150)104-79-77-102(144-146(104)156-142(140(154-144)92-33-5-2-6-34-92)94-66-62-90(63-67-94)100-35-30-81-151-88-100)97-69-73-116-112-43-14-25-55-128(112)148(134(116)84-97)123-50-20-9-38-107(123)108-39-10-21-51-124(108)148/h1-88H
InChIKeyGRYVXFSHZWFDDP-UHFFFAOYSA-N
XLogP36.07
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001974.40
LogP ≤ 536.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054
4-(9,9-diphenylfluoren-4-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631900
2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 153287700
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
CID 159856241
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261378
2,4-bis(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261410
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
2-[4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]phenyl]pyridine;3-[4-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]phenyl]pyridine
CID 167697690
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
2,4-bis(3-phenylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 157053825
CID 146661210
CID 146661210

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline?
The IUPAC name of 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline (CID 163594141) is 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline?
The canonical SMILES for 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline is c1ccc(-c2nc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3nc2-c2ccc(-c3ccnc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc(-c6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c7nc(-c8ccccc8)c(-c8ccc(-c9cccnc9)cc8)nc67)cc54)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline?
The InChIKey is GRYVXFSHZWFDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H88N6/c1-3-31-91(32-4-1)139-141(155-145-103(98-70-74-117-113-44-15-26-56-129(113)149(135(117)85-98)125-52-22-11-40-109(125)110-41-12-23-53-126(110)149)78-76-101(143(145)153-139)96-68-72-115-111-42-13-24-54-127(111)147(133(115)83-96)121-48-18-7-36-105(121)106-37-8-19-49-122(106)147)93-64-60-89(61-65-93)95-80-82-152-137(87-95)120-47-29-59-132-138(120)119-46-17-28-58-131(119)150(132)130-57-27-16-45-114(130)118-75-71-99(86-136(118)150)104-79-77-102(144-146(104)156-142(140(154-144)92-33-5-2-6-34-92)94-66-62-90(63-67-94)100-35-30-81-151-88-100)97-69-73-116-112-43-14-25-55-128(112)148(134(116)84-97)123-50-20-9-38-107(123)108-39-10-21-51-124(108)148/h1-88H.
What are the key properties of 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline?
2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline has a molecular weight of 1974.40 g/mol, XLogP of 36.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline is sourced from PubChem (CID 163594141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).