9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol

C152H186N2O10 — CID 59348594

IUPAC9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7c(c6)Oc6cc(C)ccc6N7c6ccc(-c7ccc(CCCCCCC)cc7)cc6)ccc4N5CCCCCC(O)CC(C)O)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(C)ccc6-5)c5cc(OCCCCCCCC)c(OCCCCCCCC)cc5-c5cc(OCCCCCCCC)c(OCCCCCCCC)cc54)cc32)cc1
InChIInChI=1S/C152H186N2O10/c1-11-18-25-32-39-49-90-157-125-77-71-121(72-78-125)151(122-73-79-126(80-74-122)158-91-50-40-33-26-19-12-2)134-99-115(116-66-84-130-127-81-57-109(8)96-133(127)152(136(130)101-116)137-107-149(161-94-53-43-36-29-22-15-5)147(159-92-51-41-34-27-20-13-3)105-131(137)132-106-148(160-93-52-42-35-28-21-14-4)150(108-138(132)152)162-95-54-44-37-30-23-16-6)65-82-128(134)129-83-67-117(100-135(129)151)118-68-86-139-144(102-118)164-145-103-119(69-87-140(145)153(139)89-48-45-47-56-124(156)98-111(10)155)120-70-88-142-146(104-120)163-143-97-110(9)58-85-141(143)154(142)123-75-63-114(64-76-123)113-61-59-112(60-62-113)55-46-38-31-24-17-7/h57-88,96-97,99-108,111,124,155-156H,11-56,89-95,98H2,1-10H3
InChIKeyHZCMCWNHPHAWCV-UHFFFAOYSA-N
MW2201.16 g/mol
LogP43.14
Rot. Bonds69

About 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol

9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol (PubChem CID 59348594) has the molecular formula C152H186N2O10 and a molecular weight of 2201.16 g/mol. Its IUPAC name is 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol.

Molecular Properties

Compound Name9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol
PubChem CID59348594
Molecular FormulaC152H186N2O10
Molecular Weight2201.16 g/mol
Exact Mass2199.41
IUPAC Name9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7c(c6)Oc6cc(C)ccc6N7c6ccc(-c7ccc(CCCCCCC)cc7)cc6)ccc4N5CCCCCC(O)CC(C)O)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(C)ccc6-5)c5cc(OCCCCCCCC)c(OCCCCCCCC)cc5-c5cc(OCCCCCCCC)c(OCCCCCCCC)cc54)cc32)cc1
InChIInChI=1S/C152H186N2O10/c1-11-18-25-32-39-49-90-157-125-77-71-121(72-78-125)151(122-73-79-126(80-74-122)158-91-50-40-33-26-19-12-2)134-99-115(116-66-84-130-127-81-57-109(8)96-133(127)152(136(130)101-116)137-107-149(161-94-53-43-36-29-22-15-5)147(159-92-51-41-34-27-20-13-3)105-131(137)132-106-148(160-93-52-42-35-28-21-14-4)150(108-138(132)152)162-95-54-44-37-30-23-16-6)65-82-128(134)129-83-67-117(100-135(129)151)118-68-86-139-144(102-118)164-145-103-119(69-87-140(145)153(139)89-48-45-47-56-124(156)98-111(10)155)120-70-88-142-146(104-120)163-143-97-110(9)58-85-141(143)154(142)123-75-63-114(64-76-123)113-61-59-112(60-62-113)55-46-38-31-24-17-7/h57-88,96-97,99-108,111,124,155-156H,11-56,89-95,98H2,1-10H3
InChIKeyHZCMCWNHPHAWCV-UHFFFAOYSA-N
XLogP43.14
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds69
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002201.16
LogP ≤ 543.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol with MolForge

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Related Compounds

3-methyl-10-(4-octoxyphenyl)-7-(2,3,7'-trimethyl-6,7-dioctoxy-9,9'-spirobi[fluorene]-2'-yl)phenoxazine
CID 58274125
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
CID 58274115
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
[4-[2-[4-[2-[2-[7-[2-[10-(4-butylphenyl)-7-methylphenoxazin-3-yl]ethyl]-9-methyl-9-octa-1,3,5,7-tetraynylfluoren-2-yl]ethyl]-9-(4-hexoxyphenyl)-7-methylfluoren-9-yl]phenoxy]ethoxy]phenyl]methanamine
CID 59364914
4-[9-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]-2-[2-[7-[2-[10-(4-butylphenyl)-7-methylphenoxazin-3-yl]ethyl]-9-methyl-9-octa-1,3,5,7-tetraynylfluoren-2-yl]ethyl]-7-methylfluoren-9-yl]phenol
CID 59364915
3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 160646857
11-(6-methoxynaphthalen-2-yl)-8-methyl-3-(2,3,7'-trimethyl-6,7-dioctoxy-9,9'-spirobi[fluorene]-2'-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 58926917
16-(4-butylphenyl)-12,12,20,20-tetrakis(4-hexylphenyl)-2-oxa-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 58370968
10-[3,5-bis[3,5-bis(4-pentylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine
CID 122546405
9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
CID 123691695
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;2,7,9,9-tetramethylfluorene
CID 160577625
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851

Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol?
The IUPAC name of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol (CID 59348594) is 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol.
What is the SMILES notation for 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol?
The canonical SMILES for 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol is CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7c(c6)Oc6cc(C)ccc6N7c6ccc(-c7ccc(CCCCCCC)cc7)cc6)ccc4N5CCCCCC(O)CC(C)O)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(C)ccc6-5)c5cc(OCCCCCCCC)c(OCCCCCCCC)cc5-c5cc(OCCCCCCCC)c(OCCCCCCCC)cc54)cc32)cc1.
What is the InChIKey of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol?
The InChIKey is HZCMCWNHPHAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H186N2O10/c1-11-18-25-32-39-49-90-157-125-77-71-121(72-78-125)151(122-73-79-126(80-74-122)158-91-50-40-33-26-19-12-2)134-99-115(116-66-84-130-127-81-57-109(8)96-133(127)152(136(130)101-116)137-107-149(161-94-53-43-36-29-22-15-5)147(159-92-51-41-34-27-20-13-3)105-131(137)132-106-148(160-93-52-42-35-28-21-14-4)150(108-138(132)152)162-95-54-44-37-30-23-16-6)65-82-128(134)129-83-67-117(100-135(129)151)118-68-86-139-144(102-118)164-145-103-119(69-87-140(145)153(139)89-48-45-47-56-124(156)98-111(10)155)120-70-88-142-146(104-120)163-143-97-110(9)58-85-141(143)154(142)123-75-63-114(64-76-123)113-61-59-112(60-62-113)55-46-38-31-24-17-7/h57-88,96-97,99-108,111,124,155-156H,11-56,89-95,98H2,1-10H3.
What are the key properties of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol?
9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol has a molecular weight of 2201.16 g/mol, XLogP of 43.14, 69 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol is sourced from PubChem (CID 59348594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).