(9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C80H52N2 — CID 58879549

IUPAC(9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@]1(c3cc(-c4ccc5c(c4)[C@@]4(c6cc(-c7c8ccccc8cc8ccccc78)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)ccc3-c3ccc(-c4c5ccccc5cc5ccccc45)cc31)c1ncccc1-2
InChIInChI=1S/C80H52N2/c1-45-35-67-65-23-13-33-81-77(65)79(69(67)37-47(45)3)71-41-49(25-29-61(71)63-31-27-55(43-73(63)79)75-57-19-9-5-15-51(57)39-52-16-6-10-20-58(52)75)50-26-30-62-64-32-28-56(76-59-21-11-7-17-53(59)40-54-18-8-12-22-60(54)76)44-74(64)80(72(62)42-50)70-38-48(4)46(2)36-68(70)66-24-14-34-82-78(66)80/h5-44H,1-4H3/t79-,80-/m1/s1
InChIKeyABRYSCQCPCEIHV-YSSQDERXSA-N
MW1041.31 g/mol
LogP20.01
Rot. Bonds3

About (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

(9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 58879549) has the molecular formula C80H52N2 and a molecular weight of 1041.31 g/mol. Its IUPAC name is (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name(9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID58879549
Molecular FormulaC80H52N2
Molecular Weight1041.31 g/mol
Exact Mass1040.41
IUPAC Name(9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@]1(c3cc(-c4ccc5c(c4)[C@@]4(c6cc(-c7c8ccccc8cc8ccccc78)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)ccc3-c3ccc(-c4c5ccccc5cc5ccccc45)cc31)c1ncccc1-2
InChIInChI=1S/C80H52N2/c1-45-35-67-65-23-13-33-81-77(65)79(69(67)37-47(45)3)71-41-49(25-29-61(71)63-31-27-55(43-73(63)79)75-57-19-9-5-15-51(57)39-52-16-6-10-20-58(52)75)50-26-30-62-64-32-28-56(76-59-21-11-7-17-53(59)40-54-18-8-12-22-60(54)76)44-74(64)80(72(62)42-50)70-38-48(4)46(2)36-68(70)66-24-14-34-82-78(66)80/h5-44H,1-4H3/t79-,80-/m1/s1
InChIKeyABRYSCQCPCEIHV-YSSQDERXSA-N
XLogP20.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.31
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 58879549) is (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is Cc1cc2c(cc1C)[C@]1(c3cc(-c4ccc5c(c4)[C@@]4(c6cc(-c7c8ccccc8cc8ccccc78)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)ccc3-c3ccc(-c4c5ccccc5cc5ccccc45)cc31)c1ncccc1-2.
What is the InChIKey of (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is ABRYSCQCPCEIHV-YSSQDERXSA-N. The full InChI is InChI=1S/C80H52N2/c1-45-35-67-65-23-13-33-81-77(65)79(69(67)37-47(45)3)71-41-49(25-29-61(71)63-31-27-55(43-73(63)79)75-57-19-9-5-15-51(57)39-52-16-6-10-20-58(52)75)50-26-30-62-64-32-28-56(76-59-21-11-7-17-53(59)40-54-18-8-12-22-60(54)76)44-74(64)80(72(62)42-50)70-38-48(4)46(2)36-68(70)66-24-14-34-82-78(66)80/h5-44H,1-4H3/t79-,80-/m1/s1.
What are the key properties of (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
(9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 1041.31 g/mol, XLogP of 20.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-anthracen-9-yl-7-[(9R)-7-anthracen-9-yl-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 58879549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).