10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine

C98H96N2O3 — CID 59760549

IUPAC10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)Oc7cc(C)ccc7N8c7ccc(-c8ccc(CCCCCCC)cc8)cc7)ccc6-5)c5ccccc5-c5ncccc54)cc32)cc1
InChIInChI=1S/C98H96N2O3/c1-6-9-12-15-18-23-59-101-79-48-42-76(43-49-79)97(77-44-50-80(51-45-77)102-60-24-19-16-13-10-7-2)88-61-67(4)30-52-81(88)82-53-38-72(63-89(82)97)73-39-54-83-84-55-40-74(65-91(84)98(90(83)64-73)86-28-22-21-27-85(86)96-87(98)29-25-58-99-96)75-41-57-93-95(66-75)103-94-62-68(5)31-56-92(94)100(93)78-46-36-71(37-47-78)70-34-32-69(33-35-70)26-20-17-14-11-8-3/h21-22,25,27-58,61-66H,6-20,23-24,26,59-60H2,1-5H3
InChIKeyUBUWISZMZNVSID-UHFFFAOYSA-N
MW1349.86 g/mol
LogP26.97
Rot. Bonds28

About 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine

10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine (PubChem CID 59760549) has the molecular formula C98H96N2O3 and a molecular weight of 1349.86 g/mol. Its IUPAC name is 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine
PubChem CID59760549
Molecular FormulaC98H96N2O3
Molecular Weight1349.86 g/mol
Exact Mass1348.74
IUPAC Name10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)Oc7cc(C)ccc7N8c7ccc(-c8ccc(CCCCCCC)cc8)cc7)ccc6-5)c5ccccc5-c5ncccc54)cc32)cc1
InChIInChI=1S/C98H96N2O3/c1-6-9-12-15-18-23-59-101-79-48-42-76(43-49-79)97(77-44-50-80(51-45-77)102-60-24-19-16-13-10-7-2)88-61-67(4)30-52-81(88)82-53-38-72(63-89(82)97)73-39-54-83-84-55-40-74(65-91(84)98(90(83)64-73)86-28-22-21-27-85(86)96-87(98)29-25-58-99-96)75-41-57-93-95(66-75)103-94-62-68(5)31-56-92(94)100(93)78-46-36-71(37-47-78)70-34-32-69(33-35-70)26-20-17-14-11-8-3/h21-22,25,27-58,61-66H,6-20,23-24,26,59-60H2,1-5H3
InChIKeyUBUWISZMZNVSID-UHFFFAOYSA-N
XLogP26.97
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.86
LogP ≤ 526.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine?
The IUPAC name of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine (CID 59760549) is 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine.
What is the SMILES notation for 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine?
The canonical SMILES for 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine is CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8c(c7)Oc7cc(C)ccc7N8c7ccc(-c8ccc(CCCCCCC)cc8)cc7)ccc6-5)c5ccccc5-c5ncccc54)cc32)cc1.
What is the InChIKey of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine?
The InChIKey is UBUWISZMZNVSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H96N2O3/c1-6-9-12-15-18-23-59-101-79-48-42-76(43-49-79)97(77-44-50-80(51-45-77)102-60-24-19-16-13-10-7-2)88-61-67(4)30-52-81(88)82-53-38-72(63-89(82)97)73-39-54-83-84-55-40-74(65-91(84)98(90(83)64-73)86-28-22-21-27-85(86)96-87(98)29-25-58-99-96)75-41-57-93-95(66-75)103-94-62-68(5)31-56-92(94)100(93)78-46-36-71(37-47-78)70-34-32-69(33-35-70)26-20-17-14-11-8-3/h21-22,25,27-58,61-66H,6-20,23-24,26,59-60H2,1-5H3.
What are the key properties of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine?
10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine has a molecular weight of 1349.86 g/mol, XLogP of 26.97, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine is sourced from PubChem (CID 59760549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).